Mon Mar 24 11:47:36 UTC 2025 I: starting to build meep/unstable/arm64 on jenkins on '2025-03-24 11:47'
Mon Mar 24 11:47:36 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/arm64_4/63560/console.log
Mon Mar 24 11:47:36 UTC 2025 I: Downloading source for unstable/meep=1.29.0-2
--2025-03-24 11:47:36-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.29.0-2.dsc
Connecting to 46.16.76.132:3128... connected.
Proxy request sent, awaiting response... 200 OK
Length: 2495 (2.4K) [text/prs.lines.tag]
Saving to: ‘meep_1.29.0-2.dsc’
0K .. 100% 359M=0s
2025-03-24 11:47:36 (359 MB/s) - ‘meep_1.29.0-2.dsc’ saved [2495/2495]
Mon Mar 24 11:47:36 UTC 2025 I: meep_1.29.0-2.dsc
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512
Format: 3.0 (quilt)
Source: meep
Binary: meep, libmeep33, libmeep-dev, python3-meep
Architecture: any
Version: 1.29.0-2
Maintainer: Thorsten Alteholz <debian@alteholz.de>
Homepage: https://meep.readthedocs.io
Standards-Version: 4.7.0
Vcs-Browser: https://salsa.debian.org/alteholz/meep
Vcs-Git: https://salsa.debian.org/alteholz/meep.git
Testsuite: autopkgtest-pkg-python
Build-Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit
Package-List:
libmeep-dev deb libdevel optional arch=any
libmeep33 deb libs optional arch=any
meep deb science optional arch=any
python3-meep deb python optional arch=any
Checksums-Sha1:
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c3844f094f3f1eaeea877940ef633821f5276c4d 143868 meep_1.29.0-2.debian.tar.xz
Checksums-Sha256:
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5e370e9b61c62218dd6130a8555e805ee1d709b08545a6c33afb9bbe21ffadf3 143868 meep_1.29.0-2.debian.tar.xz
Files:
411797e008bb3b64583c40925a835be0 45869613 meep_1.29.0.orig.tar.gz
4cf82618e4602d1142fe39f32f49618d 143868 meep_1.29.0-2.debian.tar.xz
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Mon Mar 24 11:47:36 UTC 2025 I: Checking whether the package is not for us
Mon Mar 24 11:47:36 UTC 2025 I: Starting 1st build on remote node codethink03-arm64.debian.net.
Mon Mar 24 11:47:36 UTC 2025 I: Preparing to do remote build '1' on codethink03-arm64.debian.net.
Mon Mar 24 12:20:36 UTC 2025 I: Deleting $TMPDIR on codethink03-arm64.debian.net.
I: pbuilder: network access will be disabled during build
I: Current time: Sun Apr 26 06:10:39 -12 2026
I: pbuilder-time-stamp: 1777227039
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
I: copying local configuration
W: --override-config is not set; not updating apt.conf Read the manpage for details.
I: mounting /proc filesystem
I: mounting /sys filesystem
I: creating /{dev,run}/shm
I: mounting /dev/pts filesystem
I: redirecting /dev/ptmx to /dev/pts/ptmx
I: policy-rc.d already exists
I: Copying source file
I: copying [meep_1.29.0-2.dsc]
I: copying [./meep_1.29.0.orig.tar.gz]
I: copying [./meep_1.29.0-2.debian.tar.xz]
I: Extracting source
dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-2.dsc: unsupported subcommand
dpkg-source: info: extracting meep in meep-1.29.0
dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz
dpkg-source: info: unpacking meep_1.29.0-2.debian.tar.xz
dpkg-source: info: using patch list from debian/patches/series
dpkg-source: info: applying python-distutils.patch
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/1614624/tmp/hooks/D02_print_environment starting
I: set
BUILDDIR='/build/reproducible-path'
BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
BUILDUSERNAME='pbuilder1'
BUILD_ARCH='arm64'
DEBIAN_FRONTEND='noninteractive'
DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 '
DISTRIBUTION='unstable'
HOME='/root'
HOST_ARCH='arm64'
IFS='
'
INVOCATION_ID='629fb2a79baf49fa9672dfd26a9eb430'
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='1614624'
PS1='# '
PS2='> '
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.r4DhO2xw/pbuilderrc_4eLK --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.r4DhO2xw/b1 --logfile b1/build.log meep_1.29.0-2.dsc'
SUDO_GID='109'
SUDO_UID='104'
SUDO_USER='jenkins'
TERM='unknown'
TZ='/usr/share/zoneinfo/Etc/GMT+12'
USER='root'
_='/usr/bin/systemd-run'
http_proxy='http://192.168.101.4:3128'
I: uname -a
Linux codethink03-arm64 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux
I: ls -l /bin
lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin
I: user script /srv/workspace/pbuilder/1614624/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
Version: 0.invalid.0
Architecture: arm64
Maintainer: Debian Pbuilder Team <pbuilder-maint@lists.alioth.debian.org>
Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder
This package was created automatically by pbuilder to satisfy the
build-dependencies of the package being currently built.
Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit
dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'.
Selecting previously unselected package pbuilder-satisfydepends-dummy.
(Reading database ... 19921 files and directories currently installed.)
Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ...
Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ...
dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested:
pbuilder-satisfydepends-dummy depends on gfortran; however:
Package gfortran is not installed.
pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however:
Package debhelper-compat is not installed.
pbuilder-satisfydepends-dummy depends on quilt; however:
Package quilt is not installed.
pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however:
Package libctl-dev is not installed.
pbuilder-satisfydepends-dummy depends on pkg-config; however:
Package pkg-config is not installed.
pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however:
Package libharminv-dev is not installed.
pbuilder-satisfydepends-dummy depends on zlib1g-dev; however:
Package zlib1g-dev is not installed.
pbuilder-satisfydepends-dummy depends on libfftw3-dev; however:
Package libfftw3-dev is not installed.
pbuilder-satisfydepends-dummy depends on libgsl-dev; however:
Package libgsl-dev is not installed.
pbuilder-satisfydepends-dummy depends on liblapack-dev; however:
Package liblapack-dev is not installed.
pbuilder-satisfydepends-dummy depends on chrpath; however:
Package chrpath is not installed.
pbuilder-satisfydepends-dummy depends on libblas-dev; however:
Package libblas-dev is not installed.
pbuilder-satisfydepends-dummy depends on libhdf5-dev; however:
Package libhdf5-dev is not installed.
pbuilder-satisfydepends-dummy depends on swig; however:
Package swig is not installed.
pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however:
Package mpb-dev is not installed.
pbuilder-satisfydepends-dummy depends on mpb; however:
Package mpb is not installed.
pbuilder-satisfydepends-dummy depends on python3-dev; however:
Package python3-dev is not installed.
pbuilder-satisfydepends-dummy depends on python3-numpy; however:
Package python3-numpy is not installed.
pbuilder-satisfydepends-dummy depends on python3-h5py; however:
Package python3-h5py is not installed.
pbuilder-satisfydepends-dummy depends on python3-scipy; however:
Package python3-scipy is not installed.
pbuilder-satisfydepends-dummy depends on python3-matplotlib; however:
Package python3-matplotlib is not installed.
pbuilder-satisfydepends-dummy depends on python3-setuptools; however:
Package python3-setuptools is not installed.
pbuilder-satisfydepends-dummy depends on libgdsii-dev; however:
Package libgdsii-dev is not installed.
pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however:
Package architecture-is-64-bit is not installed.
Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ...
Reading package lists...
Building dependency tree...
Reading state information...
Initializing package states...
Writing extended state information...
Building tag database...
pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0)
pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0)
The following NEW packages will be installed:
architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu76{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a}
The following packages are RECOMMENDED but will NOT be installed:
ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch python3-yaml shared-mime-info wget xdg-user-dirs
0 packages upgraded, 277 newly installed, 0 to remove and 0 not upgraded.
Need to get 222 MB of archives. After unpacking 958 MB will be used.
Writing extended state information...
Get: 1 http://deb.debian.org/debian unstable/main arm64 libpython3.13-minimal arm64 3.13.2-2 [853 kB]
Get: 2 http://deb.debian.org/debian unstable/main arm64 libexpat1 arm64 2.7.0-1 [92.8 kB]
Get: 3 http://deb.debian.org/debian unstable/main arm64 python3.13-minimal arm64 3.13.2-2 [1995 kB]
Get: 4 http://deb.debian.org/debian unstable/main arm64 python3-minimal arm64 3.13.2-2 [27.1 kB]
Get: 5 http://deb.debian.org/debian unstable/main arm64 media-types all 13.0.0 [29.3 kB]
Get: 6 http://deb.debian.org/debian unstable/main arm64 netbase all 6.5 [12.4 kB]
Get: 7 http://deb.debian.org/debian unstable/main arm64 tzdata all 2025b-1 [259 kB]
Get: 8 http://deb.debian.org/debian unstable/main arm64 libffi8 arm64 3.4.7-1 [21.2 kB]
Get: 9 http://deb.debian.org/debian unstable/main arm64 readline-common all 8.2-6 [69.4 kB]
Get: 10 http://deb.debian.org/debian unstable/main arm64 libreadline8t64 arm64 8.2-6 [159 kB]
Get: 11 http://deb.debian.org/debian unstable/main arm64 libpython3.13-stdlib arm64 3.13.2-2 [1888 kB]
Get: 12 http://deb.debian.org/debian unstable/main arm64 python3.13 arm64 3.13.2-2 [746 kB]
Get: 13 http://deb.debian.org/debian unstable/main arm64 libpython3-stdlib arm64 3.13.2-2 [10.1 kB]
Get: 14 http://deb.debian.org/debian unstable/main arm64 python3 arm64 3.13.2-2 [28.1 kB]
Get: 15 http://deb.debian.org/debian unstable/main arm64 python3-numpy-dev arm64 1:2.2.3+ds-5 [136 kB]
Get: 16 http://deb.debian.org/debian unstable/main arm64 libblas3 arm64 3.12.1-2 [104 kB]
Get: 17 http://deb.debian.org/debian unstable/main arm64 libgfortran5 arm64 14.2.0-19 [361 kB]
Get: 18 http://deb.debian.org/debian unstable/main arm64 liblapack3 arm64 3.12.1-2 [1819 kB]
Get: 19 http://deb.debian.org/debian unstable/main arm64 python3-numpy arm64 1:2.2.3+ds-5 [3596 kB]
Get: 20 http://deb.debian.org/debian unstable/main arm64 sensible-utils all 0.0.24 [24.8 kB]
Get: 21 http://deb.debian.org/debian unstable/main arm64 libmagic-mgc arm64 1:5.46-3 [337 kB]
Get: 22 http://deb.debian.org/debian unstable/main arm64 libmagic1t64 arm64 1:5.46-3 [103 kB]
Get: 23 http://deb.debian.org/debian unstable/main arm64 file arm64 1:5.46-3 [43.5 kB]
Get: 24 http://deb.debian.org/debian unstable/main arm64 gettext-base arm64 0.23.1-1 [241 kB]
Get: 25 http://deb.debian.org/debian unstable/main arm64 libuchardet0 arm64 0.0.8-1+b2 [69.2 kB]
Get: 26 http://deb.debian.org/debian unstable/main arm64 groff-base arm64 1.23.0-7 [1129 kB]
Get: 27 http://deb.debian.org/debian unstable/main arm64 bsdextrautils arm64 2.40.4-5 [92.0 kB]
Get: 28 http://deb.debian.org/debian unstable/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB]
Get: 29 http://deb.debian.org/debian unstable/main arm64 man-db arm64 2.13.0-1 [1404 kB]
Get: 30 http://deb.debian.org/debian unstable/main arm64 architecture-properties arm64 0.2.6 [2336 B]
Get: 31 http://deb.debian.org/debian unstable/main arm64 m4 arm64 1.4.19-7 [285 kB]
Get: 32 http://deb.debian.org/debian unstable/main arm64 autoconf all 2.72-3 [493 kB]
Get: 33 http://deb.debian.org/debian unstable/main arm64 autotools-dev all 20240727.1 [60.2 kB]
Get: 34 http://deb.debian.org/debian unstable/main arm64 automake all 1:1.17-4 [862 kB]
Get: 35 http://deb.debian.org/debian unstable/main arm64 autopoint all 0.23.1-1 [770 kB]
Get: 36 http://deb.debian.org/debian unstable/main arm64 libtcl8.6 arm64 8.6.16+dfsg-1 [984 kB]
Get: 37 http://deb.debian.org/debian unstable/main arm64 libbrotli1 arm64 1.1.0-2+b7 [308 kB]
Get: 38 http://deb.debian.org/debian unstable/main arm64 libpng16-16t64 arm64 1.6.47-1.1 [274 kB]
Get: 39 http://deb.debian.org/debian unstable/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB]
Get: 40 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB]
Get: 41 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-core all 2.37-8 [840 kB]
Get: 42 http://deb.debian.org/debian unstable/main arm64 fontconfig-config arm64 2.15.0-2.2 [318 kB]
Get: 43 http://deb.debian.org/debian unstable/main arm64 libfontconfig1 arm64 2.15.0-2.2 [387 kB]
Get: 44 http://deb.debian.org/debian unstable/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB]
Get: 45 http://deb.debian.org/debian unstable/main arm64 libxdmcp6 arm64 1:1.1.5-1 [27.8 kB]
Get: 46 http://deb.debian.org/debian unstable/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB]
Get: 47 http://deb.debian.org/debian unstable/main arm64 libx11-data all 2:1.8.12-1 [343 kB]
Get: 48 http://deb.debian.org/debian unstable/main arm64 libx11-6 arm64 2:1.8.12-1 [795 kB]
Get: 49 http://deb.debian.org/debian unstable/main arm64 libxrender1 arm64 1:0.9.10-1.1+b4 [27.2 kB]
Get: 50 http://deb.debian.org/debian unstable/main arm64 libxft2 arm64 2.3.6-1+b4 [51.6 kB]
Get: 51 http://deb.debian.org/debian unstable/main arm64 libxext6 arm64 2:1.3.4-1+b3 [49.2 kB]
Get: 52 http://deb.debian.org/debian unstable/main arm64 x11-common all 1:7.7+24 [217 kB]
Get: 53 http://deb.debian.org/debian unstable/main arm64 libxss1 arm64 1:1.2.3-1+b3 [17.1 kB]
Get: 54 http://deb.debian.org/debian unstable/main arm64 libtk8.6 arm64 8.6.16-1 [741 kB]
Get: 55 http://deb.debian.org/debian unstable/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-8 [537 kB]
Get: 56 http://deb.debian.org/debian unstable/main arm64 blt arm64 2.5.3+dfsg-8 [5984 B]
Get: 57 http://deb.debian.org/debian unstable/main arm64 chrpath arm64 0.18-1 [13.2 kB]
Get: 58 http://deb.debian.org/debian unstable/main arm64 libcom-err2 arm64 1.47.2-1+b1 [24.2 kB]
Get: 59 http://deb.debian.org/debian unstable/main arm64 comerr-dev arm64 2.1-1.47.2-1+b1 [56.2 kB]
Get: 60 http://deb.debian.org/debian unstable/main arm64 libdebhelper-perl all 13.24.1 [90.9 kB]
Get: 61 http://deb.debian.org/debian unstable/main arm64 libtool all 2.5.4-4 [539 kB]
Get: 62 http://deb.debian.org/debian unstable/main arm64 dh-autoreconf all 20 [17.1 kB]
Get: 63 http://deb.debian.org/debian unstable/main arm64 libarchive-zip-perl all 1.68-1 [104 kB]
Get: 64 http://deb.debian.org/debian unstable/main arm64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB]
Get: 65 http://deb.debian.org/debian unstable/main arm64 dh-strip-nondeterminism all 1.14.1-2 [8620 B]
Get: 66 http://deb.debian.org/debian unstable/main arm64 libelf1t64 arm64 0.192-4 [189 kB]
Get: 67 http://deb.debian.org/debian unstable/main arm64 dwz arm64 0.15-1+b1 [102 kB]
Get: 68 http://deb.debian.org/debian unstable/main arm64 libunistring5 arm64 1.3-2 [453 kB]
Get: 69 http://deb.debian.org/debian unstable/main arm64 libicu76 arm64 76.1-3 [9526 kB]
Get: 70 http://deb.debian.org/debian unstable/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.3+b1 [630 kB]
Get: 71 http://deb.debian.org/debian unstable/main arm64 gettext arm64 0.23.1-1 [1610 kB]
Get: 72 http://deb.debian.org/debian unstable/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB]
Get: 73 http://deb.debian.org/debian unstable/main arm64 po-debconf all 1.0.21+nmu1 [248 kB]
Get: 74 http://deb.debian.org/debian unstable/main arm64 debhelper all 13.24.1 [920 kB]
Get: 75 http://deb.debian.org/debian unstable/main arm64 diffstat arm64 1.67-1 [32.6 kB]
Get: 76 http://deb.debian.org/debian unstable/main arm64 ed arm64 1.21-1 [60.0 kB]
Get: 77 http://deb.debian.org/debian unstable/main arm64 fonts-lyx all 2.4.3-1 [190 kB]
Get: 78 http://deb.debian.org/debian unstable/main arm64 libgfortran-14-dev arm64 14.2.0-19 [418 kB]
Get: 79 http://deb.debian.org/debian unstable/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-19 [9794 kB]
Get: 80 http://deb.debian.org/debian unstable/main arm64 gfortran-14 arm64 14.2.0-19 [14.5 kB]
Get: 81 http://deb.debian.org/debian unstable/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.2.0-1 [1284 B]
Get: 82 http://deb.debian.org/debian unstable/main arm64 gfortran arm64 4:14.2.0-1 [1424 B]
Get: 83 http://deb.debian.org/debian unstable/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB]
Get: 84 http://deb.debian.org/debian unstable/main arm64 guile-3.0-libs arm64 3.0.10+really3.0.10-4 [6837 kB]
Get: 85 http://deb.debian.org/debian unstable/main arm64 guile-3.0 arm64 3.0.10+really3.0.10-4 [22.7 kB]
Get: 86 http://deb.debian.org/debian unstable/main arm64 libncurses6 arm64 6.5+20250216-2 [96.1 kB]
Get: 87 http://deb.debian.org/debian unstable/main arm64 libncurses-dev arm64 6.5+20250216-2 [340 kB]
Get: 88 http://deb.debian.org/debian unstable/main arm64 libreadline-dev arm64 8.2-6 [155 kB]
Get: 89 http://deb.debian.org/debian unstable/main arm64 libltdl7 arm64 2.5.4-4 [415 kB]
Get: 90 http://deb.debian.org/debian unstable/main arm64 libltdl-dev arm64 2.5.4-4 [168 kB]
Get: 91 http://deb.debian.org/debian unstable/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-3 [329 kB]
Get: 92 http://deb.debian.org/debian unstable/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-3 [621 kB]
Get: 93 http://deb.debian.org/debian unstable/main arm64 libgc-dev arm64 1:8.2.8-1 [415 kB]
Get: 94 http://deb.debian.org/debian unstable/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB]
Get: 95 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB]
Get: 96 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB]
Get: 97 http://deb.debian.org/debian unstable/main arm64 guile-3.0-dev arm64 3.0.10+really3.0.10-4 [151 kB]
Get: 98 http://deb.debian.org/debian unstable/main arm64 hdf5-helpers arm64 1.14.5+repack-3 [26.6 kB]
Get: 99 http://deb.debian.org/debian unstable/main arm64 libnl-3-200 arm64 3.7.0-2 [57.1 kB]
Get: 100 http://deb.debian.org/debian unstable/main arm64 libnl-route-3-200 arm64 3.7.0-2 [167 kB]
Get: 101 http://deb.debian.org/debian unstable/main arm64 libibverbs1 arm64 56.0-3 [58.7 kB]
Get: 102 http://deb.debian.org/debian unstable/main arm64 ibverbs-providers arm64 56.0-3 [333 kB]
Get: 103 http://deb.debian.org/debian unstable/main arm64 libkrb5support0 arm64 1.21.3-5 [32.4 kB]
Get: 104 http://deb.debian.org/debian unstable/main arm64 libk5crypto3 arm64 1.21.3-5 [81.2 kB]
Get: 105 http://deb.debian.org/debian unstable/main arm64 libkeyutils1 arm64 1.6.3-4 [9352 B]
Get: 106 http://deb.debian.org/debian unstable/main arm64 libkrb5-3 arm64 1.21.3-5 [308 kB]
Get: 107 http://deb.debian.org/debian unstable/main arm64 libgssapi-krb5-2 arm64 1.21.3-5 [127 kB]
Get: 108 http://deb.debian.org/debian unstable/main arm64 libgssrpc4t64 arm64 1.21.3-5 [57.2 kB]
Get: 109 http://deb.debian.org/debian unstable/main arm64 libkadm5clnt-mit12 arm64 1.21.3-5 [41.1 kB]
Get: 110 http://deb.debian.org/debian unstable/main arm64 libkdb5-10t64 arm64 1.21.3-5 [41.3 kB]
Get: 111 http://deb.debian.org/debian unstable/main arm64 libkadm5srv-mit12 arm64 1.21.3-5 [53.0 kB]
Get: 112 http://deb.debian.org/debian unstable/main arm64 krb5-multidev arm64 1.21.3-5 [126 kB]
Get: 113 http://deb.debian.org/debian unstable/main arm64 libaec0 arm64 1.1.3-1+b1 [22.5 kB]
Get: 114 http://deb.debian.org/debian unstable/main arm64 libsz2 arm64 1.1.3-1+b1 [8044 B]
Get: 115 http://deb.debian.org/debian unstable/main arm64 libaec-dev arm64 1.1.3-1+b1 [20.2 kB]
Get: 116 http://deb.debian.org/debian unstable/main arm64 libedit2 arm64 3.1-20250104-1 [89.3 kB]
Get: 117 http://deb.debian.org/debian unstable/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB]
Get: 118 http://deb.debian.org/debian unstable/main arm64 libllvm17t64 arm64 1:17.0.6-21+b1 [21.3 MB]
Get: 119 http://deb.debian.org/debian unstable/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b2 [12.1 MB]
Get: 120 http://deb.debian.org/debian unstable/main arm64 libdrm-common all 2.4.124-1 [8180 B]
Get: 121 http://deb.debian.org/debian unstable/main arm64 libdrm2 arm64 2.4.124-1 [38.2 kB]
Get: 122 http://deb.debian.org/debian unstable/main arm64 libdrm-amdgpu1 arm64 2.4.124-1 [21.8 kB]
Get: 123 http://deb.debian.org/debian unstable/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB]
Get: 124 http://deb.debian.org/debian unstable/main arm64 libhsakmt1 arm64 6.2.4+ds-1 [58.3 kB]
Get: 125 http://deb.debian.org/debian unstable/main arm64 libhsa-runtime64-1 arm64 6.1.2-3 [302 kB]
Get: 126 http://deb.debian.org/debian unstable/main arm64 libamdhip64-5 arm64 5.7.1-5+b1 [8826 kB]
Get: 127 http://deb.debian.org/debian unstable/main arm64 libblas-dev arm64 3.12.1-2 [111 kB]
Get: 128 http://deb.debian.org/debian unstable/main arm64 libbrotli-dev arm64 1.1.0-2+b7 [308 kB]
Get: 129 http://deb.debian.org/debian unstable/main arm64 libctl7t64 arm64 4.5.1-3 [104 kB]
Get: 130 http://deb.debian.org/debian unstable/main arm64 libctl-dev arm64 4.5.1-3 [101 kB]
Get: 131 http://deb.debian.org/debian unstable/main arm64 libidn2-0 arm64 2.3.8-2 [107 kB]
Get: 132 http://deb.debian.org/debian unstable/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-9 [20.1 kB]
Get: 133 http://deb.debian.org/debian unstable/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-9 [55.6 kB]
Get: 134 http://deb.debian.org/debian unstable/main arm64 libldap2 arm64 2.6.9+dfsg-2 [179 kB]
Get: 135 http://deb.debian.org/debian unstable/main arm64 libnghttp2-14 arm64 1.64.0-1 [71.3 kB]
Get: 136 http://deb.debian.org/debian unstable/main arm64 libnghttp3-9 arm64 1.8.0-1 [63.2 kB]
Get: 137 http://deb.debian.org/debian unstable/main arm64 libpsl5t64 arm64 0.21.2-1.1+b1 [57.1 kB]
Get: 138 http://deb.debian.org/debian unstable/main arm64 libp11-kit0 arm64 0.25.5-3 [409 kB]
Get: 139 http://deb.debian.org/debian unstable/main arm64 libtasn1-6 arm64 4.20.0-2 [47.3 kB]
Get: 140 http://deb.debian.org/debian unstable/main arm64 libgnutls30t64 arm64 3.8.9-2 [1374 kB]
Get: 141 http://deb.debian.org/debian unstable/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b5 [56.8 kB]
Get: 142 http://deb.debian.org/debian unstable/main arm64 libssh2-1t64 arm64 1.11.1-1 [235 kB]
Get: 143 http://deb.debian.org/debian unstable/main arm64 libcurl4t64 arm64 8.13.0~rc2-2 [347 kB]
Get: 144 http://deb.debian.org/debian unstable/main arm64 libidn2-dev arm64 2.3.8-2 [101 kB]
Get: 145 http://deb.debian.org/debian unstable/main arm64 libkrb5-dev arm64 1.21.3-5 [16.1 kB]
Get: 146 http://deb.debian.org/debian unstable/main arm64 libldap-dev arm64 2.6.9+dfsg-2 [305 kB]
Get: 147 http://deb.debian.org/debian unstable/main arm64 libnghttp2-dev arm64 1.64.0-1 [112 kB]
Get: 148 http://deb.debian.org/debian unstable/main arm64 libnghttp3-dev arm64 1.8.0-1 [89.4 kB]
Get: 149 http://deb.debian.org/debian unstable/main arm64 libpsl-dev arm64 0.21.2-1.1+b1 [77.9 kB]
Get: 150 http://deb.debian.org/debian unstable/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10+b1 [170 kB]
Get: 151 http://deb.debian.org/debian unstable/main arm64 libunbound8 arm64 1.22.0-1+b1 [553 kB]
Get: 152 http://deb.debian.org/debian unstable/main arm64 libgnutls-dane0t64 arm64 3.8.9-2 [452 kB]
Get: 153 http://deb.debian.org/debian unstable/main arm64 libgnutls-openssl27t64 arm64 3.8.9-2 [452 kB]
Get: 154 http://deb.debian.org/debian unstable/main arm64 libp11-kit-dev arm64 0.25.5-3 [208 kB]
Get: 155 http://deb.debian.org/debian unstable/main arm64 libtasn1-6-dev arm64 4.20.0-2 [96.7 kB]
Get: 156 http://deb.debian.org/debian unstable/main arm64 nettle-dev arm64 3.10.1-1 [1325 kB]
Get: 157 http://deb.debian.org/debian unstable/main arm64 libgnutls28-dev arm64 3.8.9-2 [1419 kB]
Get: 158 http://deb.debian.org/debian unstable/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB]
Get: 159 http://deb.debian.org/debian unstable/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b5 [67.5 kB]
Get: 160 http://deb.debian.org/debian unstable/main arm64 libssl-dev arm64 3.4.1-1 [3232 kB]
Get: 161 http://deb.debian.org/debian unstable/main arm64 libssh2-1-dev arm64 1.11.1-1 [388 kB]
Get: 162 http://deb.debian.org/debian unstable/main arm64 libzstd-dev arm64 1.5.7+dfsg-1 [335 kB]
Get: 163 http://deb.debian.org/debian unstable/main arm64 libcurl4-openssl-dev arm64 8.13.0~rc2-2 [478 kB]
Get: 164 http://deb.debian.org/debian unstable/main arm64 libdeflate0 arm64 1.23-1+b1 [42.5 kB]
Get: 165 http://deb.debian.org/debian unstable/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10+b1 [126 kB]
Get: 166 http://deb.debian.org/debian unstable/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10+b1 [54.4 kB]
Get: 167 http://deb.debian.org/debian unstable/main arm64 libexpat1-dev arm64 2.7.0-1 [144 kB]
Get: 168 http://deb.debian.org/debian unstable/main arm64 librdmacm1t64 arm64 56.0-3 [67.1 kB]
Get: 169 http://deb.debian.org/debian unstable/main arm64 libfabric1 arm64 2.0.0-4 [542 kB]
Get: 170 http://deb.debian.org/debian unstable/main arm64 libfftw3-double3 arm64 3.3.10-2+b1 [337 kB]
Get: 171 http://deb.debian.org/debian unstable/main arm64 libfftw3-long3 arm64 3.3.10-2+b1 [546 kB]
Get: 172 http://deb.debian.org/debian unstable/main arm64 libfftw3-single3 arm64 3.3.10-2+b1 [517 kB]
Get: 173 http://deb.debian.org/debian unstable/main arm64 libfftw3-bin arm64 3.3.10-2+b1 [44.3 kB]
Get: 174 http://deb.debian.org/debian unstable/main arm64 libfftw3-dev arm64 3.3.10-2+b1 [1280 kB]
Get: 175 http://deb.debian.org/debian unstable/main arm64 libfribidi0 arm64 1.0.16-1 [26.5 kB]
Get: 176 http://deb.debian.org/debian unstable/main arm64 libgpg-error0 arm64 1.51-4 [78.5 kB]
Get: 177 http://deb.debian.org/debian unstable/main arm64 libgcrypt20 arm64 1.11.0-7 [742 kB]
Get: 178 http://deb.debian.org/debian unstable/main arm64 libgdsii0 arm64 0.2+ds.1-1+b2 [29.6 kB]
Get: 179 http://deb.debian.org/debian unstable/main arm64 libgdsii-dev arm64 0.2+ds.1-1+b2 [34.7 kB]
Get: 180 http://deb.debian.org/debian unstable/main arm64 libglib2.0-0t64 arm64 2.84.0-2 [1424 kB]
Get: 181 http://deb.debian.org/debian unstable/main arm64 libgraphite2-3 arm64 1.3.14-2+b1 [70.4 kB]
Get: 182 http://deb.debian.org/debian unstable/main arm64 libgslcblas0 arm64 2.8+dfsg-5 [84.1 kB]
Get: 183 http://deb.debian.org/debian unstable/main arm64 libgsl28 arm64 2.8+dfsg-5 [881 kB]
Get: 184 http://deb.debian.org/debian unstable/main arm64 libgsl-dev arm64 2.8+dfsg-5 [1118 kB]
Get: 185 http://deb.debian.org/debian unstable/main arm64 libharfbuzz0b arm64 10.2.0-1+b1 [442 kB]
Get: 186 http://deb.debian.org/debian unstable/main arm64 libharminv3 arm64 1.4.2-1+b1 [24.6 kB]
Get: 187 http://deb.debian.org/debian unstable/main arm64 libharminv-dev arm64 1.4.2-1+b1 [15.1 kB]
Get: 188 http://deb.debian.org/debian unstable/main arm64 libhdf5-310 arm64 1.14.5+repack-3 [1155 kB]
Get: 189 http://deb.debian.org/debian unstable/main arm64 libhdf5-cpp-310 arm64 1.14.5+repack-3 [121 kB]
Get: 190 http://deb.debian.org/debian unstable/main arm64 libhdf5-fortran-310 arm64 1.14.5+repack-3 [110 kB]
Get: 191 http://deb.debian.org/debian unstable/main arm64 libhdf5-hl-310 arm64 1.14.5+repack-3 [66.1 kB]
Get: 192 http://deb.debian.org/debian unstable/main arm64 libhdf5-hl-fortran-310 arm64 1.14.5+repack-3 [42.1 kB]
Get: 193 http://deb.debian.org/debian unstable/main arm64 libhdf5-hl-cpp-310 arm64 1.14.5+repack-3 [24.4 kB]
Get: 194 http://deb.debian.org/debian unstable/main arm64 libjpeg62-turbo arm64 1:2.1.5-3.1 [173 kB]
Get: 195 http://deb.debian.org/debian unstable/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3.1 [293 kB]
Get: 196 http://deb.debian.org/debian unstable/main arm64 libjpeg-dev arm64 1:2.1.5-3.1 [72.0 kB]
Get: 197 http://deb.debian.org/debian unstable/main arm64 libhdf5-dev arm64 1.14.5+repack-3 [3225 kB]
Get: 198 http://deb.debian.org/debian unstable/main arm64 libhwloc15 arm64 2.12.0-1 [142 kB]
Get: 199 http://deb.debian.org/debian unstable/main arm64 libmunge2 arm64 0.5.16-1 [19.2 kB]
Get: 200 http://deb.debian.org/debian unstable/main arm64 libpciaccess0 arm64 0.17-3+b3 [51.2 kB]
Get: 201 http://deb.debian.org/debian unstable/main arm64 libxnvctrl0 arm64 535.171.04-1+b2 [14.0 kB]
Get: 202 http://deb.debian.org/debian unstable/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b2 [39.3 kB]
Get: 203 http://deb.debian.org/debian unstable/main arm64 libhwloc-plugins arm64 2.12.0-1 [17.8 kB]
Get: 204 http://deb.debian.org/debian unstable/main arm64 libpmix2t64 arm64 5.0.7-1 [585 kB]
Get: 205 http://deb.debian.org/debian unstable/main arm64 libibumad3 arm64 56.0-3 [28.5 kB]
Get: 206 http://deb.debian.org/debian unstable/main arm64 libibmad5 arm64 56.0-3 [42.3 kB]
Get: 207 http://deb.debian.org/debian unstable/main arm64 libucx0 arm64 1.18.1+ds-2+b1 [1016 kB]
Get: 208 http://deb.debian.org/debian unstable/main arm64 libopenmpi40 arm64 5.0.7-1 [2087 kB]
Get: 209 http://deb.debian.org/debian unstable/main arm64 libhdf5-openmpi-310 arm64 1.14.5+repack-3 [1207 kB]
Get: 210 http://deb.debian.org/debian unstable/main arm64 libimagequant0 arm64 2.18.0-1+b2 [34.6 kB]
Get: 211 http://deb.debian.org/debian unstable/main arm64 libjbig0 arm64 2.1-6.1+b2 [30.4 kB]
Get: 212 http://deb.debian.org/debian unstable/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB]
Get: 213 http://deb.debian.org/debian unstable/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB]
Get: 214 http://deb.debian.org/debian unstable/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB]
Get: 215 http://deb.debian.org/debian unstable/main arm64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB]
Get: 216 http://deb.debian.org/debian unstable/main arm64 liblapack-dev arm64 3.12.1-2 [3726 kB]
Get: 217 http://deb.debian.org/debian unstable/main arm64 liblcms2-2 arm64 2.16-2 [151 kB]
Get: 218 http://deb.debian.org/debian unstable/main arm64 liblerc4 arm64 4.0.0+ds-5 [146 kB]
Get: 219 http://deb.debian.org/debian unstable/main arm64 liblzf1 arm64 3.6-4+b3 [10.1 kB]
Get: 220 http://deb.debian.org/debian unstable/main arm64 libopenjp2-7 arm64 2.5.3-2 [190 kB]
Get: 221 http://deb.debian.org/debian unstable/main arm64 libpython3.13 arm64 3.13.2-2 [1972 kB]
Get: 222 http://deb.debian.org/debian unstable/main arm64 libpython3.13-dev arm64 3.13.2-2 [4687 kB]
Get: 223 http://deb.debian.org/debian unstable/main arm64 libpython3-dev arm64 3.13.2-2 [10.3 kB]
Get: 224 http://deb.debian.org/debian unstable/main arm64 libqhull-r8.0 arm64 2020.2-6+b2 [229 kB]
Get: 225 http://deb.debian.org/debian unstable/main arm64 libraqm0 arm64 0.10.2-1 [13.6 kB]
Get: 226 http://deb.debian.org/debian unstable/main arm64 libsharpyuv0 arm64 1.5.0-0.1 [114 kB]
Get: 227 http://deb.debian.org/debian unstable/main arm64 libwebp7 arm64 1.5.0-0.1 [271 kB]
Get: 228 http://deb.debian.org/debian unstable/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB]
Get: 229 http://deb.debian.org/debian unstable/main arm64 libwebpdemux2 arm64 1.5.0-0.1 [113 kB]
Get: 230 http://deb.debian.org/debian unstable/main arm64 libwebpmux3 arm64 1.5.0-0.1 [125 kB]
Get: 231 http://deb.debian.org/debian unstable/main arm64 libxslt1.1 arm64 1.1.35-1.2 [221 kB]
Get: 232 http://deb.debian.org/debian unstable/main arm64 mpb-scm all 1.11.1-6 [12.0 kB]
Get: 233 http://deb.debian.org/debian unstable/main arm64 mpb arm64 1.11.1-6+b2 [192 kB]
Get: 234 http://deb.debian.org/debian unstable/main arm64 mpb-dev arm64 1.11.1-6+b2 [8432 B]
Get: 235 http://deb.debian.org/debian unstable/main arm64 python-matplotlib-data all 3.8.3-7 [2735 kB]
Get: 236 http://deb.debian.org/debian unstable/main arm64 python3-attr all 25.1.0-1 [68.7 kB]
Get: 237 http://deb.debian.org/debian unstable/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB]
Get: 238 http://deb.debian.org/debian unstable/main arm64 python3-brotli arm64 1.1.0-2+b7 [300 kB]
Get: 239 http://deb.debian.org/debian unstable/main arm64 python3-contourpy arm64 1.3.1-1+b1 [190 kB]
Get: 240 http://deb.debian.org/debian unstable/main arm64 python3-cycler all 0.12.1-1 [9496 B]
Get: 241 http://deb.debian.org/debian unstable/main arm64 python3-dateutil all 2.9.0-4 [79.4 kB]
Get: 242 http://deb.debian.org/debian unstable/main arm64 python3-decorator all 5.1.1-5 [15.1 kB]
Get: 243 http://deb.debian.org/debian unstable/main arm64 python3.13-dev arm64 3.13.2-2 [506 kB]
Get: 244 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.13.2-2 [26.1 kB]
Get: 245 http://deb.debian.org/debian unstable/main arm64 python3-platformdirs all 4.3.7-1 [16.6 kB]
Get: 246 http://deb.debian.org/debian unstable/main arm64 python3-fs all 2.4.16-7 [95.2 kB]
Get: 247 http://deb.debian.org/debian unstable/main arm64 python3-lxml arm64 5.3.1-1+b1 [1139 kB]
Get: 248 http://deb.debian.org/debian unstable/main arm64 python3-lz4 arm64 4.4.0+dfsg-2 [25.3 kB]
Get: 249 http://deb.debian.org/debian unstable/main arm64 python3-scipy arm64 1.15.2-6 [14.8 MB]
Get: 250 http://deb.debian.org/debian unstable/main arm64 python3-mpmath all 1.3.0-1 [419 kB]
Get: 251 http://deb.debian.org/debian unstable/main arm64 python3-sympy all 1.13.3-5 [4148 kB]
Get: 252 http://deb.debian.org/debian unstable/main arm64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB]
Get: 253 http://deb.debian.org/debian unstable/main arm64 python3-unicodedata2 arm64 15.1.0+ds-1+b5 [298 kB]
Get: 254 http://deb.debian.org/debian unstable/main arm64 unicode-data all 15.1.0-1 [8547 kB]
Get: 255 http://deb.debian.org/debian unstable/main arm64 python3-fonttools arm64 4.55.3-2+b1 [1381 kB]
Get: 256 http://deb.debian.org/debian unstable/main arm64 python3-h5py-serial arm64 3.13.0-1+b1 [953 kB]
Get: 257 http://deb.debian.org/debian unstable/main arm64 python3-h5py all 3.13.0-1 [15.0 kB]
Get: 258 http://deb.debian.org/debian unstable/main arm64 python3-more-itertools all 10.6.0-1 [65.3 kB]
Get: 259 http://deb.debian.org/debian unstable/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB]
Get: 260 http://deb.debian.org/debian unstable/main arm64 python3-typeguard all 4.4.2-1 [37.3 kB]
Get: 261 http://deb.debian.org/debian unstable/main arm64 python3-inflect all 7.3.1-2 [32.4 kB]
Get: 262 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB]
Get: 263 http://deb.debian.org/debian unstable/main arm64 python3-pkg-resources all 75.8.0-1 [222 kB]
Get: 264 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.text all 4.0.0-1 [11.4 kB]
Get: 265 http://deb.debian.org/debian unstable/main arm64 python3-zipp all 3.21.0-1 [10.6 kB]
Get: 266 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 75.8.0-1 [724 kB]
Get: 267 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.context all 6.0.1-1 [8276 B]
Get: 268 http://deb.debian.org/debian unstable/main arm64 python3-kiwisolver arm64 1.4.7-3+b1 [57.8 kB]
Get: 269 http://deb.debian.org/debian unstable/main arm64 python3-pil arm64 11.1.0-5+b1 [495 kB]
Get: 270 http://deb.debian.org/debian unstable/main arm64 python3.13-tk arm64 3.13.2-2 [105 kB]
Get: 271 http://deb.debian.org/debian unstable/main arm64 python3-tk arm64 3.13.2-1 [9516 B]
Get: 272 http://deb.debian.org/debian unstable/main arm64 python3-pil.imagetk arm64 11.1.0-5+b1 [81.8 kB]
Get: 273 http://deb.debian.org/debian unstable/main arm64 python3-pyparsing all 3.1.2-1 [146 kB]
Get: 274 http://deb.debian.org/debian unstable/main arm64 python3-packaging all 24.2-1 [55.3 kB]
Get: 275 http://deb.debian.org/debian unstable/main arm64 python3-matplotlib arm64 3.8.3-7+b1 [22.9 MB]
Get: 276 http://deb.debian.org/debian unstable/main arm64 quilt all 0.68-1 [437 kB]
Get: 277 http://deb.debian.org/debian unstable/main arm64 swig arm64 4.3.0-1 [1406 kB]
Fetched 222 MB in 1s (211 MB/s)
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Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64'
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Setting up python3-numpy-dev:arm64 (1:2.2.3+ds-5) ...
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Setting up autopoint (0.23.1-1) ...
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Setting up libk5crypto3:arm64 (1.21.3-5) ...
Setting up libgc1:arm64 (1:8.2.8-1) ...
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Setting up libfftw3-double3:arm64 (3.3.10-2+b1) ...
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Setting up libgfortran5:arm64 (14.2.0-19) ...
Setting up autoconf (2.72-3) ...
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Setting up zlib1g-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ...
Setting up libffi8:arm64 (3.4.7-1) ...
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Setting up libx11-6:arm64 (2:1.8.12-1) ...
Setting up netbase (6.5) ...
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Setting up libssh2-1t64:arm64 (1.11.1-1) ...
Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ...
Setting up libgsl28:arm64 (2.8+dfsg-5) ...
Setting up python-matplotlib-data (3.8.3-7) ...
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Setting up libwebpmux3:arm64 (1.5.0-0.1) ...
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Setting up chrpath (0.18-1) ...
Setting up libblas-dev:arm64 (3.12.1-2) ...
update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so to provide /usr/lib/aarch64-linux-gnu/libblas.so (libblas.so-aarch64-linux-gnu) in auto mode
Setting up libsz2:arm64 (1.1.3-1+b1) ...
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update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode
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Setting up libfile-stripnondeterminism-perl (1.14.1-2) ...
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update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode
Setting up libncurses-dev:arm64 (6.5+20250216-2) ...
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Setting up libxrender1:arm64 (1:0.9.10-1.1+b4) ...
Setting up libtool (2.5.4-4) ...
Setting up libfftw3-bin (3.3.10-2+b1) ...
Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10+b1) ...
Setting up fontconfig-config (2.15.0-2.2) ...
Setting up libgdsii-dev:arm64 (0.2+ds.1-1+b2) ...
Setting up libwebpdemux2:arm64 (1.5.0-0.1) ...
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Setting up libjpeg-dev:arm64 (1:2.1.5-3.1) ...
Setting up libxext6:arm64 (2:1.3.4-1+b3) ...
Setting up quilt (0.68-1) ...
Setting up libidn2-0:arm64 (2.3.8-2) ...
Setting up pkgconf:arm64 (1.8.1-4) ...
Setting up intltool-debian (0.35.0+20060710.6) ...
Setting up libnl-route-3-200:arm64 (3.7.0-2) ...
Setting up libxnvctrl0:arm64 (535.171.04-1+b2) ...
Setting up dh-autoreconf (20) ...
Setting up libltdl-dev:arm64 (2.5.4-4) ...
Setting up libglib2.0-0t64:arm64 (2.84.0-2) ...
No schema files found: doing nothing.
Setting up libjs-jquery-ui (1.13.2+dfsg-1) ...
Setting up libllvm17t64:arm64 (1:17.0.6-21+b1) ...
Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ...
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Setting up libp11-kit0:arm64 (0.25.5-3) ...
Setting up liblapack-dev:arm64 (3.12.1-2) ...
update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode
Setting up libgssapi-krb5-2:arm64 (1.21.3-5) ...
Setting up libssh2-1-dev:arm64 (1.11.1-1) ...
Setting up libidn2-dev:arm64 (2.3.8-2) ...
Setting up libjs-sphinxdoc (8.1.3-5) ...
Setting up libharminv3 (1.4.2-1+b1) ...
Setting up libreadline8t64:arm64 (8.2-6) ...
Setting up dh-strip-nondeterminism (1.14.1-2) ...
Setting up libdrm2:arm64 (2.4.124-1) ...
Setting up groff-base (1.23.0-7) ...
Setting up gfortran-14-aarch64-linux-gnu (14.2.0-19) ...
Setting up libxslt1.1:arm64 (1.1.35-1.2) ...
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Setting up gfortran-aarch64-linux-gnu (4:14.2.0-1) ...
Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b2) ...
Setting up libxss1:arm64 (1:1.2.3-1+b3) ...
Setting up libfontconfig1:arm64 (2.15.0-2.2) ...
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Setting up libdrm-amdgpu1:arm64 (2.4.124-1) ...
Setting up libpython3.13:arm64 (3.13.2-2) ...
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Setting up libxft2:arm64 (2.3.6-1+b4) ...
Setting up ibverbs-providers:arm64 (56.0-3) ...
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Setting up libpsl5t64:arm64 (0.21.2-1.1+b1) ...
Setting up libctl7t64:arm64 (4.5.1-3) ...
Setting up python3 (3.13.2-2) ...
Setting up libreadline-dev:arm64 (8.2-6) ...
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Setting up libhwloc-plugins:arm64 (2.12.0-1) ...
Setting up man-db (2.13.0-1) ...
Not building database; man-db/auto-update is not 'true'.
Setting up gfortran (4:14.2.0-1) ...
update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode
update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode
Setting up python3.13-tk (3.13.2-2) ...
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Setting up librtmp1:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ...
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update-alternatives: using /usr/lib/aarch64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode
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Setting up librtmp-dev:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ...
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Setting up libkadm5srv-mit12:arm64 (1.21.3-5) ...
Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ...
update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode
update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode
Setting up libhdf5-fortran-310:arm64 (1.14.5+repack-3) ...
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Setting up libucx0:arm64 (1.18.1+ds-2+b1) ...
Setting up libhdf5-dev (1.14.5+repack-3) ...
update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode
Setting up libopenmpi40:arm64 (5.0.7-1) ...
Setting up libhdf5-openmpi-310:arm64 (1.14.5+repack-3) ...
Setting up mpb (1.11.1-6+b2) ...
Setting up python3-fonttools (4.55.3-2+b1) ...
Setting up python3-ufolib2 (0.17.0+dfsg1-1) ...
Setting up python3-matplotlib (3.8.3-7+b1) ...
Processing triggers for libc-bin (2.41-6) ...
Reading package lists...
Building dependency tree...
Reading state information...
Reading extended state information...
Initializing package states...
Writing extended state information...
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
dpkg-buildpackage: info: source package meep
dpkg-buildpackage: info: source version 1.29.0-2
dpkg-buildpackage: info: source distribution unstable
dpkg-buildpackage: info: source changed by Thorsten Alteholz <debian@alteholz.de>
dpkg-source --before-build .
dpkg-buildpackage: info: host architecture arm64
debian/rules clean
dh clean --with autoreconf
debian/rules override_dh_clean
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
# we do not need this anymore
rm -f tests/latest_output
dh_clean
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
debian/rules binary
dh binary --with autoreconf
dh_update_autotools_config
dh_autoreconf
libtoolize: putting auxiliary files in '.'.
libtoolize: copying file './ltmain.sh'
libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'.
libtoolize: copying file 'm4/libtool.m4'
libtoolize: copying file 'm4/ltoptions.m4'
libtoolize: copying file 'm4/ltsugar.m4'
libtoolize: copying file 'm4/ltversion.m4'
libtoolize: copying file 'm4/lt~obsolete.m4'
configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete.
configure.ac:74: You should run autoupdate.
./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from...
m4/ax_mpi.m4:69: AX_MPI is expanded from...
configure.ac:74: the top level
configure.ac:64: installing './compile'
configure.ac:109: installing './config.guess'
configure.ac:109: installing './config.sub'
configure.ac:12: installing './install-sh'
configure.ac:12: installing './missing'
libpympb/Makefile.am: installing './depcomp'
python/Makefile.am:236: installing './py-compile'
parallel-tests: installing './test-driver'
debian/rules override_dh_auto_configure
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
# the latest patch is only needed on architectures without SSE or other special stuff
if [ "arm64" = "i386" ] || \
[ "arm64" = "hurd-i386" ] ; then \
echo "all patches needed, do nothing here"; \
else \
echo "we don't need the last patch"; \
quilt pop; \
fi
we don't need the last patch
Removing patch debian/patches/i386-fix.patch
Restoring src/mympi.cpp
Now at patch debian/patches/python-distutils.patch
F77=gfortran dh_auto_configure -- --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode
./configure --build=aarch64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/aarch64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode
checking for a BSD-compatible install... /usr/bin/install -c
checking whether sleep supports fractional seconds... yes
checking filesystem timestamp resolution... 0.01
checking whether build environment is sane... yes
checking for a race-free mkdir -p... /usr/bin/mkdir -p
checking for gawk... no
checking for mawk... mawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... yes
checking xargs -n works... yes
checking whether to enable maintainer-specific portions of Makefiles... yes
checking for aarch64-linux-gnu-gcc... aarch64-linux-gnu-gcc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether the compiler supports GNU C... yes
checking whether aarch64-linux-gnu-gcc accepts -g... yes
checking for aarch64-linux-gnu-gcc option to enable C11 features... none needed
checking whether aarch64-linux-gnu-gcc understands -c and -o together... yes
checking whether make supports the include directive... yes (GNU style)
checking dependency style of aarch64-linux-gnu-gcc... none
checking for aarch64-linux-gnu-g++... aarch64-linux-gnu-g++
checking whether the compiler supports GNU C++... yes
checking whether aarch64-linux-gnu-g++ accepts -g... yes
checking for aarch64-linux-gnu-g++ option to enable C++11 features... none needed
checking dependency style of aarch64-linux-gnu-g++... none
checking whether aarch64-linux-gnu-g++ supports C++11 features by default... yes
checking build system type... aarch64-unknown-linux-gnu
checking host system type... aarch64-unknown-linux-gnu
checking for C++ compiler vendor... gnu
checking how to print strings... printf
checking for a sed that does not truncate output... /usr/bin/sed
checking for grep that handles long lines and -e... /usr/bin/grep
checking for egrep... /usr/bin/grep -E
checking for fgrep... /usr/bin/grep -F
checking for ld used by aarch64-linux-gnu-gcc... /usr/bin/ld
checking if the linker (/usr/bin/ld) is GNU ld... yes
checking for BSD- or MS-compatible name lister (nm)... /usr/bin/aarch64-linux-gnu-nm -B
checking the name lister (/usr/bin/aarch64-linux-gnu-nm -B) interface... BSD nm
checking whether ln -s works... yes
checking the maximum length of command line arguments... 1572864
checking how to convert aarch64-unknown-linux-gnu file names to aarch64-unknown-linux-gnu format... func_convert_file_noop
checking how to convert aarch64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop
checking for /usr/bin/ld option to reload object files... -r
checking for file... file
checking for aarch64-linux-gnu-objdump... aarch64-linux-gnu-objdump
checking how to recognize dependent libraries... pass_all
checking for aarch64-linux-gnu-dlltool... no
checking for dlltool... no
checking how to associate runtime and link libraries... printf %s\n
checking for aarch64-linux-gnu-ranlib... aarch64-linux-gnu-ranlib
checking for aarch64-linux-gnu-ar... aarch64-linux-gnu-ar
checking for archiver @FILE support... @
checking for aarch64-linux-gnu-strip... aarch64-linux-gnu-strip
checking command to parse /usr/bin/aarch64-linux-gnu-nm -B output from aarch64-linux-gnu-gcc object... ok
checking for sysroot... no
checking for a working dd... /usr/bin/dd
checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1
checking for aarch64-linux-gnu-mt... no
checking for mt... no
checking if : is a manifest tool... no
checking for stdio.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for strings.h... yes
checking for sys/stat.h... yes
checking for sys/types.h... yes
checking for unistd.h... yes
checking for dlfcn.h... yes
checking for objdir... .libs
checking if aarch64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no
checking for aarch64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC
checking if aarch64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes
checking if aarch64-linux-gnu-gcc static flag -static works... yes
checking if aarch64-linux-gnu-gcc supports -c -o file.o... yes
checking if aarch64-linux-gnu-gcc supports -c -o file.o... (cached) yes
checking whether the aarch64-linux-gnu-gcc linker (/usr/bin/ld) supports shared libraries... yes
checking whether -lc should be explicitly linked in... no
checking dynamic linker characteristics... GNU/Linux ld.so
checking how to hardcode library paths into programs... immediate
checking whether stripping libraries is possible... yes
checking if libtool supports shared libraries... yes
checking whether to build shared libraries... yes
checking whether to build static libraries... yes
checking how to run the C++ preprocessor... aarch64-linux-gnu-g++ -E
checking for ld used by aarch64-linux-gnu-g++... /usr/bin/ld
checking if the linker (/usr/bin/ld) is GNU ld... yes
checking whether the aarch64-linux-gnu-g++ linker (/usr/bin/ld) supports shared libraries... yes
checking for aarch64-linux-gnu-g++ option to produce PIC... -fPIC -DPIC
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(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
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o
dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) {
In file included from fields.cpp:25:
meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector<double>)':
meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder]
2255 | timing_scope working_on;
| ^~~~~~~~~~
meep.hpp:1744:23: warning: 'std::vector<double> meep::fields::bfast_scaled_k' [-Wreorder]
1744 | std::vector<double> bfast_scaled_k;
| ^~~~~~~~~~~~~~
fields.cpp:32:1: warning: when initialized here [-Wreorder]
32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin,
| ^~~~~~
meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector<double>)':
meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder]
1506 | double beta;
| ^~~~
meep.hpp:1505:23: warning: 'std::vector<double> meep::fields_chunk::bfast_scaled_k' [-Wreorder]
1505 | std::vector<double> bfast_scaled_k;
| ^~~~~~~~~~~~~~
fields.cpp:242:1: warning: when initialized here [-Wreorder]
242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta,
| ^~~~~~~~~~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1
boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const':
boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=]
120 | switch (d) {
| ^~~~~~
boundaries.cpp:128:5: note: here
128 | case D3:
| ^~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o .libs/loop_in_chunks.o
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o .libs/fix_boundary_sources.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c h5fields.cpp -fPIC -DPIC -o .libs/h5fields.o
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c h5file.cpp -fPIC -DPIC -o .libs/h5file.o
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c initialize.cpp -fPIC -DPIC -o .libs/initialize.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1
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monitor.cpp: In member function 'std::complex<double> meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const':
monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized]
327 | component cc = comp_list[com_it];
| ^~
monitor.cpp:274:15: note: 'comp_list' declared here
274 | component comp_list[3];
| ^~~~~~~~~
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o near2far.lo near2far.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o output_directory.lo output_directory.cpp
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o random.lo random.cpp
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sources.lo sources.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o
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];
| ^~
mympi.cpp: In function 'void meep::abort(const char*, ...)':
mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' 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)':
mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result]
692 | vasprintf(&s, fmt, ap);
| ~~~~~~~~~^~~~~~~~~~~~~
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step.lo step.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o
step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
144 | CHUNK_OPENMP
In file included from sources.cpp:27:
meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector<long int>&&, std::vector<std::complex<double> >&&, bool)':
meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder]
81 | std::vector<std::complex<double> > amp; // amplitudes
| ^~~
meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder]
77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling
| ^~~~~~~~~~~~~~~~~~
sources.cpp:168:1: warning: when initialized here [-Wreorder]
168 | src_vol::src_vol(component cc, src_time *st, std::vector<ptrdiff_t> &&ind,
| ^~~~~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1
output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)':
output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=]
115 | snprintf(outdirname, buflen, "%s-out", basename);
| ^~~~
In file included from /usr/include/stdio.h:970,
from output_directory.cpp:18:
In function 'int snprintf(char*, size_t, const char*, ...)',
inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11:
/usr/include/aarch64-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/aarch64-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/aarch64-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 ());
| ~~~~~~~~~~~~~~~~~
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o stress.lo stress.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure.lo structure.cpp
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/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o susceptibility.lo susceptibility.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.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) {
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o
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: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp
structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)':
structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=]
296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
| ^
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/aarch64-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 ());
| ~~~~~~~~~~~~~~~~~
structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)':
structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=]
748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
| ^~
structure_dump.cpp:748:31: note: directive argument in the range [0, 19]
748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
| ^~~~~~~~~~~~~~~~~~~
structure_dump.cpp:748:31: note: directive argument in the range [0, 4]
In function 'int snprintf(char*, size_t, const char*, ...)',
inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19:
/usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20
68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
| ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
69 | __glibc_objsize (__s), __fmt,
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
70 | __va_arg_pack ());
| ~~~~~~~~~~~~~~~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o
step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
90 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
96 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
103 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); }
step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
117 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
127 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
137 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
145 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
161 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
171 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
181 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
188 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
201 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
215 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
228 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
238 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
266 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
278 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
289 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
297 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
308 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
316 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; }
step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; }
step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
351 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
358 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
367 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
374 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
386 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
396 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
408 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
418 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
436 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
446 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
458 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
466 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
480 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
494 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
509 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
520 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
591 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
606 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
618 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
630 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
646 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
659 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
672 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
683 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
693 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
705 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
716 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
725 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
734 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
747 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
757 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
767 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
775 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; }
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o 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: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o
step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); }
step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; }
step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; }
step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
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]
meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)':
meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra]
711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) {
| ^~~~~~~~~~~~
meepgeom.cpp: In function 'std::complex<double> meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex<double>, double, geom_epsilon*, meep::grid_volume&, double, double*, int)':
meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable]
2685 | std::complex<double> row_1[3], row_2[3], dA_du[3];
| ^~~~~
meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector<meep::dft_fields*>, std::vector<meep::dft_fields*>, double*, double, meep::grid_volume&, geom_epsilon*, double)':
meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2838 | for (int i = 0; i < ng * nf; i++) {
| ~~^~~~~~~~~
meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=]
2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^ ~~
| | |
| int size_t {aka long unsigned int}
| %ld
meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wformat=]
2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^
| |
| int
| %ld
2855 | current_adjoint_chunk->omega.size());
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
| |
| std::vector<double>::size_type {aka long unsigned int}
meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=]
2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^ ~~
| | |
| int size_t {aka long unsigned int}
| %ld
meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wformat=]
2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^
| |
| int
| %ld
2862 | current_forward_chunk->omega.size());
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
| |
| std::vector<double>::size_type {aka long unsigned int}
meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue;
| ~~~~~~~~~~^~~~~~~~~~~~~~~
meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0))
| ~~~~~~~~~^~~~~~~~~~~~~~~
meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0))
| ~~~~~~~~~^~~~~~~~~~~~~~~
meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<meep::dft_chunk*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) {
| ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meepgeom.cpp: In function 'std::complex<double> meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)':
meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type]
2617 | }
| ^
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1
step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)':
step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable]
436 | realnum dt2 = dt * 0.5;
| ^~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1
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: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1
meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex<double>, std::complex<double>, double, meep::grid_volume&, double)':
meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized]
2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval,
| ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol);
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meepgeom.cpp:2760:7: note: 'kind' was declared here
2760 | int kind;
| ^~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0
libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33")
libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so")
libtool: link: (cd .libs/libmeep.lax/libsupport.a && aarch64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a")
libtool: link: aarch64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o
libtool: link: aarch64-linux-gnu-ranlib .libs/libmeep.a
libtool: link: rm -fr .libs/libmeep.lax
libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" )
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
Making all in tests
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[3]: Nothing to be done for 'all'.
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
Making all in scheme
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl
gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl
(echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i
(echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i
(echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i
(perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm
;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0
;;; or pass the --no-auto-compile argument to disable.
;;; compiling /usr/share/libctl/base/include.scm
;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
cp -f /usr/share/libctl/base/main.c main.cpp
cp -f /usr/share/libctl/utils/geom.c geom.cpp
gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl
;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0
;;; or pass the --no-auto-compile argument to disable.
;;; compiling /usr/share/libctl/base/include.scm
;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i
patch -p0 meep_wrap.cxx < ./meep_wrap.patch
patching file meep_wrap.cxx
Hunk #1 succeeded at 817 (offset 66 lines).
sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx;
make all-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp
geom.cpp:22:9: warning: "_GNU_SOURCE" redefined
22 | #define _GNU_SOURCE
| ^~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from ctl-io.h:7,
from main.cpp:37:
main.cpp: In function 'void main_entry(void*, int, char**)':
main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~
main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from ctl-io.h:7,
from ctl-io.cpp:7:
ctl-io.cpp: In function 'void ctlio::export_external_functions()':
ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)':
geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable]
2357 | vector3 axisp = vector3_scale(height, zhatp);
| ^~~~~
In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
581 | mat2 = mat1;
| ~~~~~^~~~~~
structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
structure.cpp:509:17: note: 'mat1' declared here
509 | material_type mat1, mat2;
| ^~~~
In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
595 | mat_front = mat1;
| ~~~~~~~~~~^~~~~~
structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
structure.cpp:509:17: note: 'mat1' declared here
509 | material_type mat1, mat2;
| ^~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)':
meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36080 | arg1 = (meep::component const) scm_to_int(argv[0]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36083 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)':
meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36145 | arg1 = (meep::component const) scm_to_int(argv[0]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36148 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)':
meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36209 | arg1 = (meep::component const) scm_to_int(argv[0]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36212 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
Making all in libpympb
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o
pympb.cpp:46:1: warning: multi-line comment [-Wcomment]
46 | // #define LOOP_XYZ(md) \
| ^
pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()':
pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare]
72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \
| ~~~~~^~~~~~~
pympb.cpp:87:9: note: in definition of macro 'CHECK'
87 | if (!(cond)) { meep::abort(s "\n"); }
| ^~~~
pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce'
2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm);
| ^~~~~~~~~~~~~
pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses
72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \
| ~~~~~^~~~~~~
pympb.cpp:87:9: note: in definition of macro 'CHECK'
87 | if (!(cond)) { meep::abort(s "\n"); }
| ^~~~
pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce'
2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm);
| ^~~~~~~~~~~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0
libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33")
libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so")
libtool: link: aarch64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o
libtool: link: aarch64-linux-gnu-ranlib .libs/libpympb.a
libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" )
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
Making all in python
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i
swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i
../src/meep.hpp:1644: Warning 362: operator= ignored
../src/meep.hpp:1644: Warning 362: operator= ignored
cp meep.py __init__.py
echo "__version__ = '1.29.0'" >> __init__.py
if [[ "4.3.0" = 3.0.12 ]]; then \
sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \
sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \
fi
if [[ "4.3.0" == 3.0.12 ]]; then \
sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \
sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \
fi
make all-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx
/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o
In file included from mpb-python.cxx:3409:
typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function]
115 | static PyObject *py_volume_object() {
| ^~~~~~~~~~~~~~~~
meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector<meep_geom::dft_data>, std::vector<meep::volume>, std::vector<meep::volume>, std::vector<meep::volume>, std::vector<meep::volume>, 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,
| ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter]
7530 | meep_geom::material_type_list extra_materials,
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter]
7532 | bool set_materials,
| ~~~~~^~~~~~~~~~~~~
meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)':
meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter]
7576 | vector3 cell_size,
| ~~~~~~~~^~~~~~~~~
meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter]
7577 | meep::grid_volume &gv,
| ~~~~~~~~~~~~~~~~~~~^~
meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter]
7590 | bool output_chunk_costs,
| ~~~~~^~~~~~~~~~~~~~~~~~
meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter]
7591 | const meep::binary_partition *my_bp) {
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
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) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)':
meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter]
25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter]
126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)':
meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter]
126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter]
126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)':
meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter]
126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter]
126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)':
meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter]
126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter]
126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)':
meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter]
126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
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: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0
libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33")
libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so")
libtool: link: aarch64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o
libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a
libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" )
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1
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mkdir -p meep/adjoint
cp __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 .libs/_meep.so meep
cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint
mkdir -p meep/mpb
cp .libs/_mpb.so meep/mpb
cp ./mpb.py meep/mpb/__init__.py
cp ./solver.py ./mpb_data.py meep/mpb
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cp -f ./meep-pkgconfig meep.pc
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debian/rules override_dh_auto_test
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echo arm64
arm64
if [ "arm64" = "armel" ] || \
[ "arm64" = "riscv64" ] || \
[ "arm64" = "hurd-i386" ] ; then \
echo "Do not make tests on this architecture" ;\
else \
echo "Do make tests on this architecture" ;\
make check; \
find; \
cat python/test-suite.log; \
fi
Do make tests on this architecture
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Making check in src
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make check-recursive
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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
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aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp
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libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/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/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp
/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o cylindrical.o cylindrical.cpp
/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o cylindrical cylindrical.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
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aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dump_load.o dump_load.cpp
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aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dft-fields.o dft-fields.cpp
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make check-TESTS
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PASS: aniso_disp
PASS: bench
PASS: bragg_transmission
PASS: convergence_cyl_waveguide
PASS: cylindrical
PASS: dump_load
PASS: flux
PASS: harmonics
PASS: integrate
PASS: known_results
PASS: near2far
PASS: one_dimensional
PASS: physical
PASS: stress_tensor
PASS: symmetry
PASS: three_d
PASS: two_dimensional
PASS: 2D_convergence
PASS: h5test
PASS: pml
PASS: cyl-ellipsoid-ll
PASS: array-slice-ll
PASS: ring-ll
============================================================================
Testsuite summary for meep 1.29.0
============================================================================
# TOTAL: 23
# PASS: 23
# SKIP: 0
# XFAIL: 0
# FAIL: 0
# XPASS: 0
# ERROR: 0
============================================================================
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PASS: tests/test_3rd_harm_1d.py
PASS: tests/test_absorber_1d.py
FAIL: tests/test_adjoint_solver.py
FAIL: tests/test_adjoint_utils.py
FAIL: tests/test_adjoint_cyl.py
FAIL: tests/test_adjoint_jax.py
PASS: tests/test_antenna_radiation.py
PASS: tests/test_array_metadata.py
PASS: tests/test_bend_flux.py
FAIL: tests/test_binary_partition_utils.py
FAIL: tests/test_binary_grating.py
PASS: tests/test_cavity_arrayslice.py
PASS: tests/test_cavity_farfield.py
FAIL: tests/test_chunk_balancer.py
PASS: tests/test_chunk_layout.py
PASS: tests/test_chunks.py
PASS: tests/test_conductivity.py
PASS: tests/test_cyl_ellipsoid.py
PASS: tests/test_dft_energy.py
PASS: tests/test_dft_fields.py
PASS: tests/test_diffracted_planewave.py
PASS: tests/test_dispersive_eigenmode.py
PASS: tests/test_divide_mpi_processes.py
PASS: tests/test_dump_load.py
PASS: tests/test_eigfreq.py
PASS: tests/test_faraday_rotation.py
PASS: tests/test_field_functions.py
PASS: tests/test_force.py
PASS: tests/test_fragment_stats.py
PASS: tests/test_gaussianbeam.py
PASS: tests/test_geom.py
PASS: tests/test_get_point.py
FAIL: tests/test_get_epsilon_grid.py
PASS: tests/test_holey_wvg_bands.py
PASS: tests/test_holey_wvg_cavity.py
PASS: tests/test_integrated_source.py
PASS: tests/test_kdom.py
PASS: tests/test_ldos.py
PASS: tests/test_material_dispersion.py
FAIL: tests/test_material_grid.py
PASS: tests/test_materials_library.py
PASS: tests/test_medium_evaluations.py
FAIL: tests/test_mpb.py
PASS: tests/test_mode_coeffs.py
FAIL: tests/test_mode_decomposition.py
FAIL: tests/test_multilevel_atom.py
PASS: tests/test_n2f_periodic.py
PASS: tests/test_oblique_source.py
FAIL: tests/test_pml_cyl.py
PASS: tests/test_physical.py
PASS: tests/test_prism.py
PASS: tests/test_pw_source.py
FAIL: tests/test_refl_angular.py
FAIL: tests/test_ring.py
PASS: tests/test_ring_cyl.py
PASS: tests/test_simulation.py
FAIL: tests/test_special_kz.py
PASS: tests/test_source.py
PASS: tests/test_timing_measurements.py
PASS: tests/test_user_defined_material.py
PASS: tests/test_verbosity_mgr.py
PASS: tests/test_visualization.py
PASS: tests/test_wvg_src.py
============================================================================
Testsuite summary for meep 1.29.0
============================================================================
# TOTAL: 63
# PASS: 47
# SKIP: 0
# XFAIL: 0
# FAIL: 16
# XPASS: 0
# ERROR: 0
============================================================================
See python/test-suite.log for debugging.
============================================================================
make[6]: *** [Makefile:1119: test-suite.log] Error 1
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[5]: *** [Makefile:1254: check-TESTS] Error 2
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[4]: *** [Makefile:1318: check-am] Error 2
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[3]: *** [Makefile:1320: check] Error 2
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[2]: *** [Makefile:523: check-recursive] Error 1
make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0'
.
./meep.pc
./libtool
./stamp-h1
./config.h
./meep-pkgconfig
./Makefile
./config.status
./config.log
./test-driver
./depcomp
./py-compile
./Makefile.in
./missing
./install-sh
./config.sub
./config.guess
./compile
./config.h.in
./configure
./aclocal.m4
./ltmain.sh
./autom4te.cache
./autom4te.cache/output.1
./autom4te.cache/traces.1
./autom4te.cache/output.3
./autom4te.cache/traces.3
./autom4te.cache/output.2
./autom4te.cache/traces.2
./autom4te.cache/output.0
./autom4te.cache/traces.0
./autom4te.cache/requests
./configure.ac
./.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/applied-patches
./.pc/.quilt_series
./.pc/.quilt_patches
./.pc/.version
./debian
./debian/.debhelper
./debian/.debhelper/generated
./debian/.debhelper/generated/_source
./debian/.debhelper/generated/_source/home
./debian/.debhelper/generated/_source/home/.cache
./debian/.debhelper/generated/_source/home/.cache/guile
./debian/.debhelper/generated/_source/home/.cache/guile/ccache
./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-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.after
./debian/autoreconf.before
./debian/watch
./debian/upstream
./debian/upstream/metadata
./debian/source
./debian/source/lintian-overrides
./debian/source/format
./debian/rules
./debian/python3-meep.prerm
./debian/python3-meep.postinst
./debian/python3-meep.install
./debian/patches
./debian/patches/series
./debian/patches/python-distutils.patch
./debian/patches/i386-fix.patch
./debian/missing-sources
./debian/missing-sources/modernizr-2.8.3.js
./debian/missing-sources/jquery-2.1.1.js
./debian/missing-sources/highlight.js
./debian/meep.manpages
./debian/meep.install
./debian/meep.docs
./debian/meep.1
./debian/libmeep33.lintian-overrides
./debian/libmeep33.install
./debian/libmeep-dev.install
./debian/docs
./debian/copyright
./debian/control
./debian/changelog
./debian/README.source
./version.sh
./tests
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./tests/2D_convergence.trs
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./tests/flux.trs
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./tests/dump_load.trs
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./tests/cylindrical.trs
./tests/cylindrical.log
./tests/convergence_cyl_waveguide.trs
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./tests/bragg_transmission.trs
./tests/bragg_transmission.log
./tests/bench.trs
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./tests/aniso_disp.trs
./tests/aniso_disp.log
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./tests/bend-flux-ll
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./tests/gdsII-3d
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./tests/dft-fields
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./tests/cyl-ellipsoid-ll
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./tests/pw-source-ll
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./tests/pml
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./tests/flux
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./tests/cylindrical
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./tests/convergence_cyl_waveguide
./tests/convergence_cyl_waveguide.o
./tests/bragg_transmission
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./tests/bench
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./tests/aniso_disp
./tests/.libs
./tests/.libs/array-metadata
./tests/.libs/bend-flux-ll
./tests/.libs/gdsII-3d
./tests/.libs/dft-fields
./tests/.libs/user-defined-material
./tests/.libs/array-slice-ll
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./tests/.libs/cyl-ellipsoid-ll
./tests/.libs/ring-ll
./tests/.libs/pw-source-ll
./tests/.libs/pml
./tests/.libs/h5test
./tests/.libs/2D_convergence
./tests/.libs/two_dimensional
./tests/.libs/three_d
./tests/.libs/symmetry
./tests/.libs/stress_tensor
./tests/.libs/physical
./tests/.libs/one_dimensional
./tests/.libs/near2far
./tests/.libs/known_results
./tests/.libs/integrate
./tests/.libs/harmonics
./tests/.libs/flux
./tests/.libs/dump_load
./tests/.libs/cylindrical
./tests/.libs/convergence_cyl_waveguide
./tests/.libs/bragg_transmission
./tests/.libs/bench
./tests/.libs/aniso_disp
./tests/aniso_disp.o
./tests/Makefile
./tests/Makefile.in
./tests/user-defined-material.cpp
./tests/two_dimensional.cpp
./tests/three_d.cpp
./tests/symmetry.cpp
./tests/stress_tensor.cpp
./tests/ring-ll.cpp
./tests/pw-source-ll.cpp
./tests/pml.cpp
./tests/physical.cpp
./tests/one_dimensional.cpp
./tests/near2far.cpp
./tests/known_results.cpp
./tests/integrate.cpp
./tests/harmonics.cpp
./tests/h5test.cpp
./tests/gdsII-3d.gds
./tests/gdsII-3d.cpp
./tests/flux.cpp
./tests/dump_load.cpp
./tests/dft-fields.cpp
./tests/cylindrical.cpp
./tests/cyl-ellipsoid.ctl
./tests/cyl-ellipsoid-ll.cpp
./tests/cyl-ellipsoid-eps-ref.h5
./tests/convergence_cyl_waveguide.cpp
./tests/bragg_transmission.cpp
./tests/bend-flux-ll.cpp
./tests/bench.cpp
./tests/array-slice-ll.cpp
./tests/array-slice-ll-ref.h5
./tests/array-metadata.cpp
./tests/aniso_disp.cpp
./tests/absorber-1d-ll.cpp
./tests/Makefile.am
./tests/2D_convergence.cpp
./src
./src/libmeep.la
./src/step_generic_stride1.lo
./src/step_generic_stride1.o
./src/step_generic.lo
./src/step_generic.o
./src/meepgeom.lo
./src/structure.lo
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./src/GDSIIgeom.lo
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./src/cw_fields.lo
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./src/fields_dump.lo
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./src/casimir.lo
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./src/energy_and_flux.lo
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./src/dft_ldos.lo
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./src/bands.lo
./src/bicgstab.lo
./src/bicgstab.o
./src/bands.o
./src/sphere-quad.h
./src/sphere_quad
./src/.libs
./src/.libs/libmeep.la
./src/.libs/libmeep.lai
./src/.libs/libmeep.a
./src/.libs/libmeep.so
./src/.libs/libmeep.so.33
./src/.libs/libmeep.so.33.0.0
./src/.libs/step_generic_stride1.o
./src/.libs/step_generic.o
./src/.libs/meepgeom.o
./src/.libs/structure.o
./src/.libs/vec.o
./src/.libs/GDSIIgeom.o
./src/.libs/step_db.o
./src/.libs/mpb.o
./src/.libs/update_eh.o
./src/.libs/susceptibility.o
./src/.libs/update_pols.o
./src/.libs/structure_dump.o
./src/.libs/time.o
./src/.libs/stress.o
./src/.libs/sources.o
./src/.libs/step.o
./src/.libs/near2far.o
./src/.libs/output_directory.o
./src/.libs/random.o
./src/.libs/multilevel-atom.o
./src/.libs/mympi.o
./src/.libs/monitor.o
./src/.libs/integrate2.o
./src/.libs/material_data.o
./src/.libs/initialize.o
./src/.libs/integrate.o
./src/.libs/h5fields.o
./src/.libs/h5file.o
./src/.libs/boundaries.o
./src/.libs/loop_in_chunks.o
./src/.libs/fix_boundary_sources.o
./src/.libs/anisotropic_averaging.o
./src/.libs/dft.o
./src/.libs/cw_fields.o
./src/.libs/fields.o
./src/.libs/array_slice.o
./src/.libs/fields_dump.o
./src/.libs/casimir.o
./src/.libs/energy_and_flux.o
./src/.libs/bicgstab.o
./src/.libs/dft_ldos.o
./src/.libs/bands.o
./src/sphere-quad.o
./src/step_generic_stride1.cpp
./src/Makefile
./src/mympi.cpp
./src/Makefile.in
./src/vec.cpp
./src/update_pols.cpp
./src/update_eh.cpp
./src/time.cpp
./src/susceptibility.cpp
./src/support
./src/support/libsupport.la
./src/support/mt19937ar.lo
./src/support/mt19937ar.o
./src/support/.libs
./src/support/.libs/libsupport.la
./src/support/.libs/libsupport.a
./src/support/.libs/mt19937ar.o
./src/support/Makefile
./src/support/Makefile.in
./src/support/mt19937ar.c
./src/support/meep_mt.h
./src/support/Makefile.am
./src/structure_dump.cpp
./src/structure.cpp
./src/stress.cpp
./src/step_generic.cpp
./src/step_db.cpp
./src/step.cpp
./src/sphere-quad.cpp
./src/sources.cpp
./src/random.cpp
./src/output_directory.cpp
./src/near2far.cpp
./src/multilevel-atom.cpp
./src/mpb.cpp
./src/monitor.cpp
./src/meepgeom.hpp
./src/meepgeom.cpp
./src/meep_internals.hpp
./src/meep
./src/meep/meep-config.h
./src/meep/vec.hpp
./src/meep/mympi.hpp
./src/meep/meep-config.h.in
./src/meep.hpp
./src/material_data.hpp
./src/material_data.cpp
./src/loop_in_chunks.cpp
./src/integrate2.cpp
./src/integrate.cpp
./src/initialize.cpp
./src/h5file.cpp
./src/h5fields.cpp
./src/fix_boundary_sources.cpp
./src/fields_dump.cpp
./src/fields.cpp
./src/energy_and_flux.cpp
./src/dft_ldos.cpp
./src/dft.cpp
./src/cw_fields.cpp
./src/casimir.cpp
./src/boundaries.cpp
./src/bicgstab.hpp
./src/bicgstab.cpp
./src/bands.cpp
./src/array_slice.cpp
./src/anisotropic_averaging.cpp
./src/adjust_verbosity.hpp
./src/Makefile.am
./src/GDSIIgeom.cpp
./scheme
./scheme/meep
./scheme/.libs
./scheme/.libs/meep
./scheme/meep-meep_wrap.o
./scheme/meep-structure.o
./scheme/meep-geom.o
./scheme/meep-meep.o
./scheme/meep-ctl-io.o
./scheme/meep-main.o
./scheme/meep_wrap.cxx
./scheme/meep_wrap.cxx.bak
./scheme/meep_wrap.cxx.orig
./scheme/ctl-io.cpp
./scheme/main.cpp
./scheme/geom.cpp
./scheme/meep-enums.scm
./scheme/meep_swig_bug_workaround.i
./scheme/ctl-io.h
./scheme/meep_enum_renames.i
./scheme/ctl-io.i
./scheme/meep_renames.i
./scheme/meep.scm
./scheme/Makefile
./scheme/Makefile.in
./scheme/structure.cpp
./scheme/meep_wrap.patch
./scheme/meep_op_renames.i
./scheme/meep.scm.in
./scheme/meep.i
./scheme/meep.cpp
./scheme/meep-ctl.hpp
./scheme/meep-ctl-swig.hpp
./scheme/meep-ctl-const.hpp
./scheme/materials.scm
./scheme/examples
./scheme/examples/zone-plate.ctl
./scheme/examples/wvg_src.ctl
./scheme/examples/straight-waveguide.ctl
./scheme/examples/stochastic-emitter.ctl
./scheme/examples/solve-cw.ctl
./scheme/examples/ring.ctl
./scheme/examples/ring-cyl.ctl
./scheme/examples/refl-quartz.ctl
./scheme/examples/refl-angular.ctl
./scheme/examples/refl-angular-kz2d.ctl
./scheme/examples/pw-source.ctl
./scheme/examples/polarization_grating.ctl
./scheme/examples/perturbation-theory.ctl
./scheme/examples/perturbation-theory-2d.ctl
./scheme/examples/parallel-wvgs-mpb.ctl
./scheme/examples/parallel-wvgs-force.ctl
./scheme/examples/oblique-source.ctl
./scheme/examples/oblique-planewave.ctl
./scheme/examples/multilevel-atom.ctl
./scheme/examples/mode-decomposition.ctl
./scheme/examples/mode-coeffs.ctl
./scheme/examples/mie-scattering.ctl
./scheme/examples/metasurface_lens_phasemap.ctl
./scheme/examples/metasurface_lens_farfield.ctl
./scheme/examples/metal-cavity-ldos.ctl
./scheme/examples/material-dispersion.ctl
./scheme/examples/holey-wvg-cavity.ctl
./scheme/examples/holey-wvg-bands.ctl
./scheme/examples/group-velocity.ctl
./scheme/examples/gaussian-beam.ctl
./scheme/examples/finite_grating.ctl
./scheme/examples/faraday-rotation.ctl
./scheme/examples/differential-cross-section.ctl
./scheme/examples/cylinder-cross-section.ctl
./scheme/examples/chirped-pulse.ctl
./scheme/examples/cherenkov-radiation.ctl
./scheme/examples/cavity-farfield.ctl
./scheme/examples/binary_grating_phasemap.ctl
./scheme/examples/binary_grating_oblique.ctl
./scheme/examples/binary_grating_n2f.ctl
./scheme/examples/binary_grating.ctl
./scheme/examples/bent-waveguide.ctl
./scheme/examples/bend-flux.ctl
./scheme/examples/antenna-radiation.ctl
./scheme/examples/absorbed-power-density.ctl
./scheme/examples/3rd-harm-1d.ctl
./scheme/casimir.scm
./scheme/Makefile.am
./python
./python/test-suite.log
./python/meep
./python/meep/__pycache__
./python/meep/__pycache__/timing_measurements.cpython-313.pyc
./python/meep/__pycache__/binary_partition_utils.cpython-313.pyc
./python/meep/__pycache__/materials.cpython-313.pyc
./python/meep/__pycache__/visualization.cpython-313.pyc
./python/meep/__pycache__/verbosity_mgr.cpython-313.pyc
./python/meep/__pycache__/source.cpython-313.pyc
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./python/meep/adjoint/__init__.py
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========================================
meep 1.29.0: python/test-suite.log
========================================
# TOTAL: 63
# PASS: 47
# SKIP: 0
# XFAIL: 0
# FAIL: 16
# XPASS: 0
# ERROR: 0
System information (uname -a): Linux 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64
Distribution information (/etc/os-release):
PRETTY_NAME="Debian GNU/Linux trixie/sid"
NAME="Debian GNU/Linux"
VERSION_CODENAME=trixie
ID=debian
HOME_URL="https://www.debian.org/"
SUPPORT_URL="https://www.debian.org/support"
BUG_REPORT_URL="https://bugs.debian.org/"
.. contents:: :depth: 2
FAIL: tests/test_adjoint_solver
===============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-b9wr_vr2 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.2389 s
FAIL tests/test_adjoint_solver.py (exit status: 1)
FAIL: tests/test_adjoint_utils
==============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-l2oxefjy 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.2085 s
FAIL tests/test_adjoint_utils.py (exit status: 1)
FAIL: tests/test_adjoint_cyl
============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-t451k5jx 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.2155 s
FAIL tests/test_adjoint_cyl.py (exit status: 1)
FAIL: tests/test_adjoint_jax
============================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in <module>
import jax
ModuleNotFoundError: No module named 'jax'
FAIL tests/test_adjoint_jax.py (exit status: 1)
FAIL: tests/test_binary_partition_utils
=======================================
Matplotlib created a temporary cache directory at /tmp/matplotlib-f6c4hssf 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
Elapsed run time = 0.0030 s
FAIL tests/test_binary_partition_utils.py (exit status: 1)
FAIL: tests/test_binary_grating
===============================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_binary_grating.py (exit status: 1)
FAIL: tests/test_chunk_balancer
===============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-v1htnv7f 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
Elapsed run time = 0.0013 s
FAIL tests/test_chunk_balancer.py (exit status: 1)
FAIL: tests/test_get_epsilon_grid
=================================
Matplotlib created a temporary cache directory at /tmp/matplotlib-4qrwjttn 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.2147 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-rx0037u5 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.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.2119 s
FAIL tests/test_material_grid.py (exit status: 1)
FAIL: tests/test_mpb
====================
Matplotlib created a temporary cache directory at /tmp/matplotlib-_1uqvpmt 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.
/tmp/meepg15Lzl/test_anisotropic_2d_gap-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.3, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: .
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0015306472778320312
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 10.77194213866493 (192.122% change)
linmin: converged after 7 iterations.
iteration 2: trace = 3.0754972925257 (111.161% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.71668476265345 (56.7096% change)
linmin: converged after 7 iterations.
iteration 4: trace = 1.227420708969451 (33.2369% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.060832724595333 (14.5603% change)
linmin: converged after 7 iterations.
iteration 6: trace = 0.959975852113978 (9.98183% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.909240400209034 (5.42853% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.8807679450969029 (3.18127% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8627797420484471 (2.0634% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.8516588552680404 (1.29732% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8438574996288519 (0.920234% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8394516798595164 (0.523471% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.836629069249995 (0.336811% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8347678523808513 (0.222714% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8337466495477653 (0.122409% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8330292235347097 (0.0860855% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8325947181531635 (0.0521733% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8323092192026496 (0.0342961% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8321766146416989 (0.0159334% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8321119589360675 (0.00776977% change)
linmin: converged after 7 iterations.
iteration 21: trace = 0.8320745163302404 (0.00449981% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.832051317003098 (0.00278817% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8320378597035315 (0.00161738% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8320296693273964 (0.00098438% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8320254490100094 (0.000507233% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.8320231011390418 (0.000282188% change)
linmin: converged after 5 iterations.
iteration 27: trace = 0.8320218176827396 (0.000154257% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8320210651241119 (9.04494e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.8320205764596325 (5.87322e-05% change)
linmin: converged after 19 iterations.
iteration 30: trace = 0.8320203215435755 (3.06382e-05% change)
linmin: converged after 5 iterations.
iteration 31: trace = 0.8320202068470011 (1.37853e-05% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8320201439100389 (7.56436e-06% change)
linmin: converged after 2 iterations.
iteration 33: trace = 0.8320201056776415 (4.59513e-06% change)
linmin: converged after 2 iterations.
iteration 34: trace = 0.8320200829980432 (2.72585e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 0.8320200693466452 (1.64075e-06% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.8320200636019381 (6.90453e-07% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8320200604494776 (3.78892e-07% change)
linmin: converged after 6 iterations.
iteration 38: trace = 0.8320200588885164 (1.87611e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 0.8320200580360128 (1.02462e-07% change)
linmin: converged after 19 iterations.
iteration 40: trace = 0.8320200576147273 (5.0634e-08% change)
linmin: converged after 2 iterations.
iteration 41: trace = 0.8320200574061474 (2.50691e-08% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.8320200572926048 (1.36466e-08% change)
linmin: converged after 9 iterations.
iteration 43: trace = 0.8320200572315926 (7.33302e-09% change)
linmin: converged after 2 iterations.
iteration 44: trace = 0.832020057198161 (4.01812e-09% change)
linmin: converged after 5 iterations.
iteration 45: trace = 0.8320200571762048 (2.6389e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.8320200571626069 (1.63432e-09% change)
linmin: converged after 2 iterations.
iteration 47: trace = 0.8320200571545783 (9.6495e-10% change)
linmin: converged after 3 iterations.
iteration 48: trace = 0.832020057150025 (5.47252e-10% change)
linmin: converged after 4 iterations.
iteration 49: trace = 0.8320200571472434 (3.34327e-10% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.8320200571454062 (2.20812e-10% change)
linmin: converged after 6 iterations.
iteration 51: trace = 0.8320200571444556 (1.14249e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.8320200571439178 (6.46369e-11% change)
Finished solving for bands 3 to 8 after 52 iterations.
freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833
elapsed time for k point: 0.12083768844604492
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 0.8411857073604645 (1.48851% change)
linmin: converged after 8 iterations.
iteration 2: trace = 0.8364158268943164 (0.568655% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8353099576195202 (0.132303% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.8342493413734591 (0.127053% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8327506867263736 (0.179803% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.8318022392492346 (0.113958% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8313248193318883 (0.0574123% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.8309940498477346 (0.0397962% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8307771087497984 (0.0261096% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8306786823965296 (0.0118482% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.830620418876548 (0.00701421% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8305831498030515 (0.004487% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8305591613818109 (0.00288818% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8305450047313113 (0.00170449% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8305386872319382 (0.000760648% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8305355879462613 (0.000373166% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8305341210791168 (0.000176617% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8305331675841161 (0.000114805% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.8305325811294096 (7.06119e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8305322746123353 (3.69061e-05% change)
linmin: converged after 7 iterations.
iteration 21: trace = 0.8305320916748304 (2.20265e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8305320019893665 (1.07986e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.8305319557056104 (5.57278e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8305319292924483 (3.18027e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8305319161092475 (1.58732e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8305319042197319 (1.43155e-06% change)
linmin: converged after 21 iterations.
iteration 27: trace = 0.8305318965921982 (9.18391e-07% change)
linmin: converged after 10 iterations.
iteration 28: trace = 0.8305318905535406 (7.27083e-07% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.8305318875553995 (3.6099e-07% change)
linmin: converged after 16 iterations.
iteration 30: trace = 0.8305318858786155 (2.01893e-07% change)
linmin: converged after 3 iterations.
iteration 31: trace = 0.8305318849630696 (1.10236e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.8305318845533121 (4.93368e-08% change)
linmin: converged after 12 iterations.
iteration 33: trace = 0.830531884211193 (4.11928e-08% change)
linmin: converged after 15 iterations.
iteration 34: trace = 0.8305318840358398 (2.11134e-08% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.8305318839403582 (1.14964e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.8305318839001288 (4.84381e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.830531883874691 (3.06283e-09% change)
linmin: converged after 24 iterations.
iteration 38: trace = 0.8305318838577096 (2.04464e-09% change)
linmin: converged after 18 iterations.
iteration 39: trace = 0.8305318838472706 (1.2569e-09% change)
linmin: converged after 23 iterations.
iteration 40: trace = 0.8305318838419788 (6.37154e-10% change)
linmin: converged after 6 iterations.
iteration 41: trace = 0.8305318838394073 (3.09621e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.8305318838374599 (2.34481e-10% change)
linmin: converged after 19 iterations.
iteration 43: trace = 0.8305318838359887 (1.77134e-10% change)
linmin: converged after 4 iterations.
iteration 44: trace = 0.8305318838350271 (1.1579e-10% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.8305318838345979 (5.16792e-11% change)
Finished solving for bands 1 to 8 after 45 iterations.
freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396
elapsed time for k point: 0.15617609024047852
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 0.836315860096732 (1.66557% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.8340975083083036 (0.265605% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8332458664916265 (0.102156% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8322497918498211 (0.119613% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.8311832900375034 (0.128229% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8306432394277228 (0.0649948% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8303416617015291 (0.0363131% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8301707132794689 (0.0205898% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.830078155996353 (0.0111498% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8300183450119853 (0.00720572% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8299838209971111 (0.00415951% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8299580236592101 (0.00310822% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8299441420167275 (0.00167259% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8299355104420545 (0.00104002% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8299314094940895 (0.00049413% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8299288478334526 (0.00030866% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8299269859865059 (0.000224338% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8299257864059029 (0.000144541% change)
linmin: converged after 5 iterations.
iteration 19: trace = 0.8299250658247074 (8.68248e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.8299246454651557 (5.06503e-05% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8299243778997404 (3.22397e-05% change)
linmin: converged after 7 iterations.
iteration 22: trace = 0.8299242050799038 (2.08236e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.8299241006170228 (1.2587e-05% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8299240288709508 (8.6449e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8299239857346447 (5.19762e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8299239648673498 (2.51436e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 0.8299239559095053 (1.07936e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.8299239507817767 (6.17855e-07% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.829923948679026 (2.53367e-07% change)
linmin: converged after 16 iterations.
iteration 30: trace = 0.8299239474471369 (1.48434e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8299239467745021 (8.10478e-08% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.8299239462912059 (5.82338e-08% change)
linmin: converged after 7 iterations.
iteration 33: trace = 0.8299239460822325 (2.51798e-08% change)
linmin: converged after 24 iterations.
iteration 34: trace = 0.829923945946898 (1.63069e-08% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8299239458765898 (8.47164e-09% change)
linmin: converged after 10 iterations.
iteration 36: trace = 0.8299239458198523 (6.83647e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.8299239457895662 (3.64926e-09% change)
linmin: converged after 22 iterations.
iteration 38: trace = 0.8299239457730856 (1.9858e-09% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.8299239457622447 (1.30625e-09% change)
linmin: converged after 23 iterations.
iteration 40: trace = 0.8299239457533909 (1.06682e-09% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.8299239457488158 (5.5127e-10% change)
linmin: converged after 16 iterations.
iteration 42: trace = 0.8299239457466069 (2.66157e-10% change)
linmin: converged after 2 iterations.
iteration 43: trace = 0.829923945745775 (1.00237e-10% change)
linmin: converged after 4 iterations.
iteration 44: trace = 0.8299239457452547 (6.26865e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164
elapsed time for k point: 0.15265417098999023
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 10 iterations.
iteration 1: trace = 0.8384579710388014 (1.6581% change)
linmin: converged after 6 iterations.
iteration 2: trace = 0.8362067464145161 (0.268857% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.834959121441012 (0.149312% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8329527435092523 (0.240586% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8312082200197433 (0.209658% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8301835396589363 (0.123352% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8295953310521766 (0.0708779% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8291618777609253 (0.0522624% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8288536352392206 (0.0371821% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8286314540975082 (0.0268094% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8284802607009891 (0.0182478% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.828394573579545 (0.0103432% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8283427444947822 (0.00625677% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8283194330460465 (0.00281427% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8283033017531329 (0.00194749% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8282937079890141 (0.00115825% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8282878480627425 (0.000707472% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8282850045906595 (0.000343296% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.8282833184112278 (0.000203575% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8282822463842839 (0.000129428% change)
linmin: converged after 5 iterations.
iteration 21: trace = 0.828281645933129 (7.24936e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8282813061972929 (4.1017e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8282810615722307 (2.95341e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.8282809635218542 (1.18378e-05% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8282809080507751 (6.69713e-06% change)
linmin: converged after 7 iterations.
iteration 26: trace = 0.8282808797258102 (3.41973e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 0.8282808634907819 (1.96009e-06% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8282808551640518 (1.0053e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.8282808490579532 (7.37201e-07% change)
linmin: converged after 2 iterations.
iteration 30: trace = 0.8282808456817429 (4.07617e-07% change)
linmin: converged after 3 iterations.
iteration 31: trace = 0.8282808435851823 (2.53122e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.8282808424976488 (1.313e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.8282808418243391 (8.129e-08% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8282808413684856 (5.50361e-08% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8282808411400967 (2.75738e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.8282808410003623 (1.68704e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.8282808409003344 (1.20766e-08% change)
linmin: converged after 27 iterations.
iteration 38: trace = 0.8282808408204201 (9.64821e-09% change)
linmin: converged after 7 iterations.
iteration 39: trace = 0.8282808407815183 (4.69669e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 0.8282808407436563 (4.57116e-09% change)
linmin: converged after 25 iterations.
iteration 41: trace = 0.8282808407148372 (3.47938e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.8282808406920066 (2.75639e-09% change)
linmin: converged after 2 iterations.
iteration 43: trace = 0.8282808406803972 (1.40162e-09% change)
linmin: converged after 4 iterations.
iteration 44: trace = 0.8282808406737886 (7.9787e-10% change)
linmin: converged after 10 iterations.
iteration 45: trace = 0.8282808406704848 (3.98875e-10% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.8282808406687536 (2.09008e-10% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.8282808406678077 (1.14202e-10% change)
linmin: converged after 7 iterations.
iteration 48: trace = 0.828280840667425 (4.62034e-11% change)
Finished solving for bands 1 to 8 after 48 iterations.
freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837
elapsed time for k point: 0.16593360900878906
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 0.8297766891059705 (1.76584% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.827126168465749 (0.319937% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8255817084558966 (0.186901% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8228149488845111 (0.335691% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8213029828484377 (0.183924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8204117591652833 (0.108572% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.820078298876689 (0.0406537% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8198547383796821 (0.0272646% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8197334194501104 (0.0147987% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8196549411872421 (0.00957409% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8196169098404152 (0.00464003% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8195957363298469 (0.00258338% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8195850475611317 (0.00130416% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8195801359377121 (0.000599284% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8195775858623278 (0.000311145% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8195759931744636 (0.000194331% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8195753474397359 (7.87889e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.8195750259742762 (3.92234e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8195748466735 (2.18773e-05% change)
linmin: converged after 9 iterations.
iteration 20: trace = 0.8195747606874673 (1.04915e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.8195747077048916 (6.46464e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8195746734680514 (4.17739e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8195746498620211 (2.88028e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8195746392254357 (1.29782e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.819574632834841 (7.79745e-07% change)
linmin: converged after 13 iterations.
iteration 26: trace = 0.8195746295494708 (4.00863e-07% change)
linmin: converged after 13 iterations.
iteration 27: trace = 0.819574628150171 (1.70735e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8195746272400561 (1.11047e-07% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8195746268100966 (5.24613e-08% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8195746265188533 (3.55359e-08% change)
linmin: converged after 27 iterations.
iteration 31: trace = 0.8195746264084736 (1.34679e-08% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.8195746263156771 (1.13225e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.8195746262714612 (5.39499e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8195746262510966 (2.48478e-09% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8195746262406717 (1.27199e-09% change)
linmin: converged after 15 iterations.
iteration 36: trace = 0.8195746262340665 (8.05925e-10% change)
linmin: converged after 2 iterations.
iteration 37: trace = 0.8195746262311596 (3.54684e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.8195746262301503 (1.2315e-10% change)
linmin: converged after 11 iterations.
iteration 39: trace = 0.8195746262296728 (5.82628e-11% change)
Finished solving for bands 1 to 8 after 39 iterations.
freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603
elapsed time for k point: 0.1355743408203125
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8202060387200576 (1.70382% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.8182750241160189 (0.235708% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.817535559432626 (0.0904096% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8164009027530945 (0.138886% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8158262222327872 (0.0704167% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8155045628218415 (0.0394352% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8153935931190388 (0.0136084% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8153330404418098 (0.00742647% change)
linmin: converged after 7 iterations.
iteration 9: trace = 0.8153020394554229 (0.00380232% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.815283053454816 (0.00232873% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8152730327975205 (0.00122911% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.815266489638716 (0.000802576% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8152634044378041 (0.000378429% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8152616169738826 (0.00021925% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8152605303295448 (0.000133288% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8152599189119256 (7.49966e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8152596059346907 (3.83899e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8152594642120827 (1.73837e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8152593920835759 (8.84731e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8152593577039601 (4.21702e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.8152593354987897 (2.72369e-06% change)
linmin: converged after 6 iterations.
iteration 22: trace = 0.8152593247016575 (1.32438e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8152593173087741 (9.06814e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.8152593138254385 (4.27267e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8152593120047846 (2.23322e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8152593112736239 (8.96844e-08% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8152593110092122 (3.24328e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8152593108493351 (1.96106e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8152593107911446 (7.13768e-09% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8152593107576598 (4.10725e-09% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8152593107456172 (1.47715e-09% change)
linmin: converged after 7 iterations.
iteration 32: trace = 0.8152593107377903 (9.60044e-10% change)
linmin: converged after 10 iterations.
iteration 33: trace = 0.8152593107338376 (4.84843e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 0.8152593107317028 (2.61861e-10% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.8152593107306813 (1.253e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8152593107299846 (8.54532e-11% change)
Finished solving for bands 1 to 8 after 36 iterations.
freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988
elapsed time for k point: 0.12530755996704102
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 0.8213704099867726 (1.52178% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.8169092598691136 (0.544614% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8151043146603212 (0.221192% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8124543005631838 (0.325643% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.811240168559422 (0.149552% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8106456426067773 (0.0733129% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.810403371041347 (0.0298907% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8102812528478489 (0.01507% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8102098418733521 (0.0088135% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8101705321405788 (0.00485191% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8101434675866164 (0.00334066% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8101271596843558 (0.00201298% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.810119052953955 (0.00100068% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8101141957189366 (0.000599572% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8101112551273706 (0.000362985% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8101100249752458 (0.00015185% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8101093505151843 (8.32554e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.8101090557261185 (3.63888e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8101089101963076 (1.79642e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.8101088685543416 (5.14029e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8101088443461921 (2.98826e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8101088339233451 (1.2866e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8101088287653663 (6.36702e-07% change)
linmin: converged after 17 iterations.
iteration 24: trace = 0.8101088257061436 (3.77631e-07% change)
linmin: converged after 6 iterations.
iteration 25: trace = 0.8101088238653266 (2.27231e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.810108822665528 (1.48103e-07% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8101088219921038 (8.31276e-08% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.810108821643532 (4.30278e-08% change)
linmin: converged after 29 iterations.
iteration 29: trace = 0.8101088214253349 (2.69343e-08% change)
linmin: converged after 2 iterations.
iteration 30: trace = 0.8101088213419808 (1.02892e-08% change)
linmin: converged after 3 iterations.
iteration 31: trace = 0.8101088213102635 (3.91519e-09% change)
linmin: converged after 6 iterations.
iteration 32: trace = 0.8101088212925482 (2.18678e-09% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.8101088212829829 (1.18075e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8101088212792966 (4.55034e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8101088212770255 (2.80342e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.810108821275652 (1.69554e-10% change)
linmin: converged after 10 iterations.
iteration 37: trace = 0.8101088212748289 (1.01606e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8101088212743903 (5.41332e-11% change)
Finished solving for bands 1 to 8 after 38 iterations.
freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445
elapsed time for k point: 0.13184642791748047
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 0.809273371128195 (1.38558% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.8062984969773834 (0.368275% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8053330558378826 (0.119809% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.80405922806096 (0.158299% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8034666835426599 (0.0737213% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8031100766844055 (0.0443934% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8029749352577331 (0.0168287% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8028924749265977 (0.0102699% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8028467143041492 (0.00569963% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8028180397698028 (0.00357167% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8027995733460006 (0.00230023% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8027906687323354 (0.0011092% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8027867967539712 (0.000482316% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8027849000552016 (0.000236265% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8027839219051782 (0.000121845% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8027834732207151 (5.58911e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.8027832650213437 (2.59347e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8027831684655311 (1.20276e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8027831163738792 (6.48888e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8027830991936692 (2.14008e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8027830866479162 (1.56278e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8027830797597423 (8.58037e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8027830760515255 (4.6192e-07% change)
linmin: converged after 9 iterations.
iteration 24: trace = 0.8027830736191423 (3.02994e-07% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8027830724307873 (1.48029e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.8027830717575404 (8.38641e-08% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8027830715079984 (3.10846e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8027830713939041 (1.42123e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.8027830713270425 (8.32873e-09% change)
linmin: converged after 14 iterations.
iteration 30: trace = 0.8027830712989859 (3.49493e-09% change)
linmin: converged after 7 iterations.
iteration 31: trace = 0.8027830712879676 (1.37251e-09% change)
linmin: converged after 16 iterations.
iteration 32: trace = 0.8027830712796187 (1.03999e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8027830712735203 (7.5965e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8027830712713143 (2.74796e-10% change)
linmin: converged after 6 iterations.
iteration 35: trace = 0.8027830712698051 (1.88001e-10% change)
linmin: converged after 15 iterations.
iteration 36: trace = 0.802783071268766 (1.29432e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.8027830712683004 (5.80017e-11% change)
Finished solving for bands 1 to 8 after 37 iterations.
freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089
elapsed time for k point: 0.12822437286376953
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8068179225889665 (1.29517% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.804832588193017 (0.246373% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8042872136604009 (0.0677854% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8036249724599602 (0.0823728% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8032567356252627 (0.0458325% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8029920196650826 (0.0329608% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8028887415049023 (0.0128625% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8028182815775591 (0.00877619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8027780187785131 (0.00501531% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8027521710407273 (0.00321984% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8027359476526511 (0.00202099% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.802727982914457 (0.000992204% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.802723880114383 (0.000511108% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8027211420985967 (0.000341091% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8027191516384169 (0.000247964% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8027176224959517 (0.000190496% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8027166889701804 (0.000116296% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8027162103596907 (5.96239e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8027159091591477 (3.75227e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8027158068781748 (1.27419e-05% change)
linmin: converged after 10 iterations.
iteration 21: trace = 0.8027157420448225 (8.07675e-06% change)
linmin: converged after 6 iterations.
iteration 22: trace = 0.802715709343627 (4.07382e-06% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8027156963901343 (1.61371e-06% change)
linmin: converged after 25 iterations.
iteration 24: trace = 0.8027156897719367 (8.24476e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8027156870140796 (3.43566e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8027156854301956 (1.97316e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.8027156847538376 (8.42587e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8027156842766868 (5.94421e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8027156840251561 (3.1335e-08% change)
linmin: converged after 31 iterations.
iteration 30: trace = 0.8027156839051044 (1.49557e-08% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.8027156838537041 (6.4033e-09% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.8027156838186872 (4.3623e-09% change)
linmin: converged after 13 iterations.
iteration 33: trace = 0.8027156837999538 (2.33375e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8027156837942571 (7.09688e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8027156837904597 (4.7307e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8027156837880036 (3.05966e-10% change)
linmin: converged after 7 iterations.
iteration 37: trace = 0.8027156837870213 (1.22375e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8027156837865843 (5.44382e-11% change)
Finished solving for bands 1 to 8 after 38 iterations.
freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458
elapsed time for k point: 0.13206815719604492
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8155294376424663 (1.37094% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.8138776522734583 (0.202747% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8133742935541981 (0.0618661% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8126556331426072 (0.0883945% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8121871670633984 (0.0576629% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8117923023583824 (0.0486293% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8116108115438246 (0.0223593% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.8114739977375731 (0.0168585% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8113791011440841 (0.011695% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8113085750803738 (0.0086925% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.8112504355246271 (0.0071664% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.811211066717463 (0.00485297% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8111826254010386 (0.00350609% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.8111593523668564 (0.00286907% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8111444357100662 (0.00183895% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.811135444413941 (0.00110848% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.8111316026057794 (0.000473634% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.811130187145684 (0.000174505% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8111293526274589 (0.000102883% change)
linmin: converged after 5 iterations.
iteration 20: trace = 0.8111290114631691 (4.20604e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.8111287652725712 (3.03516e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8111286057812008 (1.96629e-05% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8111285234429321 (1.01511e-05% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8111284687546958 (6.74224e-06% change)
linmin: converged after 12 iterations.
iteration 25: trace = 0.8111284433478234 (3.13229e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8111284222032065 (2.60681e-06% change)
linmin: converged after 7 iterations.
iteration 27: trace = 0.8111284113560745 (1.33729e-06% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8111284028317195 (1.05093e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.8111283987915656 (4.98091e-07% change)
linmin: converged after 9 iterations.
iteration 30: trace = 0.8111283967889734 (2.4689e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8111283955216915 (1.56237e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.8111283948185323 (8.6689e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.8111283945321676 (3.53045e-08% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8111283944066422 (1.54754e-08% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8111283943165297 (1.11095e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.8111283942752676 (5.087e-09% change)
linmin: converged after 19 iterations.
iteration 37: trace = 0.8111283942632421 (1.48256e-09% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8111283942557568 (9.22831e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.8111283942508334 (6.06981e-10% change)
linmin: converged after 9 iterations.
iteration 40: trace = 0.8111283942481876 (3.26184e-10% change)
linmin: converged after 16 iterations.
iteration 41: trace = 0.81112839424681 (1.69833e-10% change)
linmin: converged after 6 iterations.
iteration 42: trace = 0.811128394246043 (9.45662e-11% change)
Finished solving for bands 1 to 8 after 42 iterations.
freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942
elapsed time for k point: 0.14547204971313477
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8290563269388784 (1.5156% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.8273550264785751 (0.20542% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8266224782205577 (0.0885802% change)
large trace change predicted (0.193434%)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8250101629050859 (0.195239% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8239463222377366 (0.129032% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8228610425306505 (0.131804% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8221978507147034 (0.0806283% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8216235802290914 (0.0698702% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8211054695681614 (0.0630793% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8206083191293649 (0.0605648% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8201236287664798 (0.0590822% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8197787982981481 (0.042055% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8195406353236169 (0.0290563% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8193469211861539 (0.0236397% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8192379771359951 (0.0132973% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8191817953726388 (0.00685804% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8191490570081135 (0.00399655% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8191307360021227 (0.00223662% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8191110855888374 (0.00239896% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8190994002107381 (0.0014266% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8190864754428578 (0.00157794% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8190800027292462 (0.000790239% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.8190771103947635 (0.000353121% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8190748139325353 (0.000280372% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.8190737905148722 (0.000124948% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.8190729885719623 (9.79086e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 0.8190726416048181 (4.2361e-05% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8190724446469992 (2.40464e-05% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.8190723634326225 (9.91541e-06% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8190723223059518 (5.02113e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.819072293636266 (3.50026e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8190722799506965 (1.67086e-06% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8190722717209697 (1.00476e-06% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8190722641678607 (9.22154e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.8190722569175918 (8.85181e-07% change)
linmin: converged after 20 iterations.
iteration 36: trace = 0.819072252398658 (5.51714e-07% change)
linmin: converged after 18 iterations.
iteration 37: trace = 0.8190722470126064 (6.5758e-07% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8190722404773362 (7.97887e-07% change)
linmin: converged after 4 iterations.
iteration 39: trace = 0.8190722358112694 (5.69677e-07% change)
linmin: converged after 3 iterations.
iteration 40: trace = 0.8190722327134291 (3.78213e-07% change)
linmin: converged after 6 iterations.
iteration 41: trace = 0.8190722304560935 (2.75597e-07% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.8190722291582522 (1.58453e-07% change)
linmin: converged after 4 iterations.
iteration 43: trace = 0.8190722281638675 (1.21404e-07% change)
linmin: converged after 4 iterations.
iteration 44: trace = 0.8190722275599085 (7.3737e-08% change)
linmin: converged after 2 iterations.
iteration 45: trace = 0.8190722273229317 (2.89323e-08% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.8190722271693935 (1.87454e-08% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.8190722271071573 (7.59838e-09% change)
linmin: converged after 10 iterations.
iteration 48: trace = 0.8190722270707893 (4.44015e-09% change)
linmin: converged after 14 iterations.
iteration 49: trace = 0.8190722270585126 (1.49886e-09% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.8190722270528337 (6.93333e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 0.8190722270495949 (3.95416e-10% change)
linmin: converged after 2 iterations.
iteration 52: trace = 0.8190722270481852 (1.72117e-10% change)
linmin: converged after 2 iterations.
iteration 53: trace = 0.8190722270474002 (9.58313e-11% change)
Finished solving for bands 1 to 8 after 53 iterations.
freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307
elapsed time for k point: 0.1822059154510498
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 0.8318723245698361 (3.13082% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8276838458231727 (0.504771% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8250719751639439 (0.316062% change)
large trace change predicted (0.829962%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8181500821756009 (0.842478% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.8146308841822318 (0.431068% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8121449348964213 (0.305629% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8110067055704764 (0.140249% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8102662668394681 (0.0913404% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8097637147394906 (0.0620423% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8094608758573285 (0.0374054% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8092619572238918 (0.0245772% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8091489869963024 (0.0139606% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8090914838523688 (0.00710687% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8090524495611096 (0.00482458% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8090299048314704 (0.0027866% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8090196961708989 (0.00126185% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8090149532580024 (0.000586256% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8090133783585416 (0.000194669% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8090122091828419 (0.000144519% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.809011746549078 (5.7185e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 0.8090114311733304 (3.89828e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8090112622133518 (2.08847e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8090112032213227 (7.29187e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8090111645767121 (4.77677e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8090111496273182 (1.84786e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8090111376871478 (1.4759e-06% change)
linmin: converged after 10 iterations.
iteration 27: trace = 0.8090111299481263 (9.56603e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8090111234591612 (8.02086e-07% change)
linmin: converged after 17 iterations.
iteration 29: trace = 0.8090111190077983 (5.50223e-07% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.8090111160067402 (3.70954e-07% change)
linmin: converged after 11 iterations.
iteration 31: trace = 0.8090111140715618 (2.39203e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.809011112840562 (1.52161e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.8090111123538603 (6.01601e-08% change)
linmin: converged after 2 iterations.
iteration 34: trace = 0.8090111120761603 (3.43259e-08% change)
linmin: converged after 25 iterations.
iteration 35: trace = 0.809011111827572 (3.07274e-08% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8090111117288276 (1.22056e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8090111116923977 (4.50301e-09% change)
linmin: converged after 5 iterations.
iteration 38: trace = 0.8090111116668663 (3.15587e-09% change)
linmin: converged after 4 iterations.
iteration 39: trace = 0.8090111116513794 (1.91431e-09% change)
linmin: converged after 6 iterations.
iteration 40: trace = 0.8090111116440928 (9.00682e-10% change)
linmin: converged after 6 iterations.
iteration 41: trace = 0.8090111116401751 (4.84251e-10% change)
linmin: converged after 8 iterations.
iteration 42: trace = 0.8090111116384469 (2.13629e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.8090111116376205 (1.02142e-10% change)
linmin: converged after 4 iterations.
iteration 44: trace = 0.8090111116370096 (7.55188e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272
elapsed time for k point: 0.1522667407989502
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 0.8171851170997577 (2.82615% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.813918027365284 (0.400599% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8130234308008992 (0.109973% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.811581624060812 (0.177496% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8108367043900603 (0.0918283% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8104212308344327 (0.0512532% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8102651075147203 (0.0192663% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8101854245831392 (0.00983466% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8101424830515994 (0.00530035% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.810120944553498 (0.00265864% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8101107143717293 (0.0012628% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8101053670865769 (0.000660071% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8101033097483941 (0.00025396% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.8101024191779366 (0.000109933% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.8101019341435778 (5.98732e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8101016896360236 (3.01823e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.8101015590582973 (1.61187e-05% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8101015104593604 (5.99912e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8101014866005619 (2.94516e-06% change)
linmin: converged after 8 iterations.
iteration 20: trace = 0.8101014766732865 (1.22544e-06% change)
linmin: converged after 24 iterations.
iteration 21: trace = 0.8101014719162717 (5.87212e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8101014694525338 (3.04127e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8101014680412485 (1.74211e-07% change)
linmin: converged after 8 iterations.
iteration 24: trace = 0.8101014671897425 (1.05111e-07% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8101014666458735 (6.71359e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.810101466366896 (3.44374e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.8101014662654042 (1.25283e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8101014662094285 (6.90972e-09% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.8101014661850829 (3.00524e-09% change)
linmin: converged after 16 iterations.
iteration 30: trace = 0.8101014661721252 (1.59952e-09% change)
linmin: converged after 7 iterations.
iteration 31: trace = 0.8101014661683199 (4.6973e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8101014661663739 (2.40217e-10% change)
linmin: converged after 6 iterations.
iteration 33: trace = 0.8101014661650519 (1.63196e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8101014661646312 (5.19273e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281
elapsed time for k point: 0.1180715560913086
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 0.8384802898748622 (2.88371% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8342584911066918 (0.504777% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8324378232300615 (0.218476% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8292138799100831 (0.388041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.827322253232385 (0.228383% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8262867608253194 (0.12524% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8257462495266317 (0.0654359% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8254198265357116 (0.0395385% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8251898663616859 (0.0278637% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8250606384828725 (0.0156616% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8249885908464112 (0.00873279% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8249476216823384 (0.00496615% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.824928537065068 (0.00231346% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8249170794087202 (0.00138894% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8249097450566565 (0.000889106% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8249057647163063 (0.000482519% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8249036821750686 (0.000252458% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8249026994258288 (0.000119135% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8249021282724944 (6.92389e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8249018605074976 (3.24602e-05% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8249016803447531 (2.18405e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8249015845869494 (1.16084e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8249015344706885 (6.07542e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8249015089280831 (3.09644e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8249014948902105 (1.70176e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8249014886144899 (7.60784e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.82490148538737 (3.91213e-07% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.8249014836509996 (2.10494e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.8249014827636327 (1.07572e-07% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.824901482377576 (4.68003e-08% change)
linmin: converged after 26 iterations.
iteration 31: trace = 0.8249014822007916 (2.1431e-08% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8249014820905052 (1.33697e-08% change)
linmin: converged after 6 iterations.
iteration 33: trace = 0.8249014820217433 (8.33577e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 0.8249014819930203 (3.48199e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.8249014819693666 (2.86745e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.824901481953957 (1.86806e-09% change)
linmin: converged after 22 iterations.
iteration 37: trace = 0.8249014819460342 (9.60451e-10% change)
linmin: converged after 16 iterations.
iteration 38: trace = 0.8249014819420621 (4.81517e-10% change)
linmin: converged after 13 iterations.
iteration 39: trace = 0.8249014819395273 (3.07293e-10% change)
linmin: converged after 18 iterations.
iteration 40: trace = 0.8249014819380525 (1.78787e-10% change)
linmin: converged after 16 iterations.
iteration 41: trace = 0.8249014819373073 (9.03358e-11% change)
Finished solving for bands 1 to 8 after 41 iterations.
freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434
elapsed time for k point: 0.14223742485046387
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 0.8480483504579561 (3.58198% change)
linmin: converged after 6 iterations.
iteration 2: trace = 0.8430089126034128 (0.59601% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.8384490944510825 (0.542365% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.833504242190635 (0.591506% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.8312006937664944 (0.276752% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8303345713220793 (0.104256% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8298720782409875 (0.0557151% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8296438183420806 (0.0275092% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8295035920716755 (0.0169034% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8294292605779823 (0.00896136% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.8293938184228468 (0.00427317% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.829375645803089 (0.0021911% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8293681148786946 (0.000908027% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8293644321962761 (0.000444036% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8293622462035651 (0.000263575% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8293611088425483 (0.000137137% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8293605063723064 (7.26427e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8293602062722002 (3.61845e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.8293600606222393 (1.75617e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8293599788560098 (9.85895e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8293599294100369 (5.96194e-06% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8293598981795791 (3.76561e-06% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.829359881782837 (1.97704e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8293598714059198 (1.2512e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8293598655872598 (7.01584e-07% change)
linmin: converged after 12 iterations.
iteration 26: trace = 0.8293598628133533 (3.34464e-07% change)
linmin: converged after 21 iterations.
iteration 27: trace = 0.8293598612781719 (1.85104e-07% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8293598604061101 (1.05149e-07% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8293598600266698 (4.5751e-08% change)
linmin: converged after 22 iterations.
iteration 30: trace = 0.8293598598808711 (1.75797e-08% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.829359859814782 (7.96869e-09% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.8293598597813747 (4.02808e-09% change)
linmin: converged after 11 iterations.
iteration 33: trace = 0.8293598597669902 (1.73441e-09% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8293598597619849 (6.03517e-10% change)
linmin: converged after 16 iterations.
iteration 35: trace = 0.8293598597589518 (3.65719e-10% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.829359859757155 (2.16647e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.8293598597560852 (1.28992e-10% change)
linmin: converged after 20 iterations.
iteration 38: trace = 0.8293598597555056 (6.98776e-11% change)
Finished solving for bands 1 to 8 after 38 iterations.
freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139
elapsed time for k point: 0.13187575340270996
solve_kpoint (0,0,0):
Solving for bands 3 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8480940244309446 (1.69227% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8419235022329321 (0.730232% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.8394087479197274 (0.299138% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.836466267239855 (0.351158% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.834672354538319 (0.214693% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8334606568479985 (0.145276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8328462065781603 (0.07375% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8325101793123081 (0.040355% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8322457691396173 (0.0317656% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8321412516982053 (0.0125593% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8320852115237597 (0.00673468% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8320477512855995 (0.00450207% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8320325851853662 (0.00182276% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8320268694258969 (0.000686966% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8320236470047006 (0.000387298% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.832022038583722 (0.000193315% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8320210664606004 (0.000116839% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.8320206058344797 (5.53623e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8320203906623702 (2.58614e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8320202605730955 (1.56353e-05% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8320201840423708 (9.19818e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.83202013794228 (5.54074e-06% change)
linmin: converged after 7 iterations.
iteration 23: trace = 0.8320200998172953 (4.58222e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.8320200739733764 (3.10617e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8320200654921726 (1.01935e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8320200619872656 (4.21253e-07% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8320200597339977 (2.70819e-07% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.832020058365486 (1.64481e-07% change)
linmin: converged after 19 iterations.
iteration 29: trace = 0.8320200576761879 (8.28463e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.8320200574763272 (2.40211e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8320200573161726 (1.92489e-08% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8320200572338544 (9.89377e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 0.832020057197676 (4.34826e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8320200571735461 (2.90016e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.8320200571592896 (1.71348e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8320200571525682 (8.07841e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8320200571484559 (4.94251e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8320200571461505 (2.77095e-10% change)
linmin: converged after 5 iterations.
iteration 39: trace = 0.8320200571449834 (1.40269e-10% change)
linmin: converged after 2 iterations.
iteration 40: trace = 0.8320200571443123 (8.06627e-11% change)
Finished solving for bands 3 to 8 after 40 iterations.
freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833
..elapsed time for k point: 0.09259605407714844
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0>
Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0>
Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0>
total elapsed time for run: 2.2162203788757324
done
/tmp/meepg15Lzl/test_anisotropic_2d_gap-0: 2.22s
/tmp/meepg15Lzl/test_attribute_accessors-0
========================
/tmp/meepg15Lzl/test_attribute_accessors-0: 0.00s
/tmp/meepg15Lzl/test_bragg-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 1 dimensions.
Grid size is 32 x 1 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 1e+20, height 0.25, axis (1, 0, 0)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.0, 0.0>
elapsed time for initialization: 0.00018525123596191406
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...
near maximum in trace
linmin: converged after 20 iterations.
iteration 1: trace = 27.80144625027669 (180.5% change)
linmin: converged after 8 iterations.
iteration 2: trace = 19.82418800010011 (33.4999% change)
linmin: converged after 7 iterations.
iteration 3: trace = 18.80241114661619 (5.29053% change)
linmin: converged after 5 iterations.
iteration 4: trace = 18.64391851982911 (0.846506% change)
linmin: converged after 8 iterations.
iteration 5: trace = 18.63017324216899 (0.0737524% change)
linmin: converged after 5 iterations.
iteration 6: trace = 18.62916003541502 (0.00543867% change)
linmin: converged after 4 iterations.
iteration 7: trace = 18.62909545680369 (0.000346654% change)
linmin: converged after 4 iterations.
iteration 8: trace = 18.62908848466774 (3.74261e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 18.62908777894175 (3.7883e-06% change)
linmin: converged after 16 iterations.
switching to approximate line minimization (decrease time by 62.0253%)
iteration 10: trace = 18.6290877002945 (4.22174e-07% change)
iteration 11: trace = 18.62908769515245 (2.76022e-08% change)
iteration 12: trace = 18.6290876948879 (1.42013e-09% change)
iteration 13: trace = 18.62908769487537 (6.72627e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631
elapsed time for k point: 0.0018389225006103516
total elapsed time for run: 0.0021016597747802734
done
Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664
.Outputting fields to /tmp/meepg15Lzl/test_bragg-0-h.k01.b08.y.tm.h5...
/tmp/meepg15Lzl/test_bragg-0: 0.01s
/tmp/meepg15Lzl/test_bragg_sine-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 1 dimensions.
Grid size is 32 x 1 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
11 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.05, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.15000000000000002, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.25, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.35000000000000003, 0.0, 0.0>
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: 0.0033402442932128906
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...
near maximum in trace
linmin: converged after 19 iterations.
iteration 1: trace = 17.30275056401984 (175.314% change)
linmin: converged after 8 iterations.
iteration 2: trace = 11.9760373863671 (36.3862% change)
linmin: converged after 6 iterations.
iteration 3: trace = 11.17691626013078 (6.90297% change)
linmin: converged after 5 iterations.
iteration 4: trace = 11.08896486917231 (0.79001% change)
linmin: converged after 6 iterations.
iteration 5: trace = 11.08297661618686 (0.0540165% change)
linmin: converged after 8 iterations.
iteration 6: trace = 11.08249596622674 (0.00433692% change)
linmin: converged after 5 iterations.
iteration 7: trace = 11.08219937792676 (0.00267622% change)
large trace change predicted (0.0167811%)
linmin: converged after 6 iterations.
iteration 8: trace = 11.08038974001353 (0.0163306% change)
large trace change predicted (0.0812502%)
linmin: converged after 8 iterations.
iteration 9: trace = 11.07305304217878 (0.0662353% change)
linmin: converged after 5 iterations.
iteration 10: trace = 11.07180721242442 (0.0112516% change)
linmin: converged after 7 iterations.
iteration 11: trace = 11.07168890779527 (0.00106853% change)
linmin: converged after 6 iterations.
iteration 12: trace = 11.07167968197878 (8.3328e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 11.07167908240041 (5.41542e-06% change)
linmin: converged after 10 iterations.
switching to approximate line minimization (decrease time by 52.5253%)
iteration 14: trace = 11.07167889420393 (1.6998e-06% change)
iteration 15: trace = 11.0716779976237 (8.09796e-06% change)
iteration 16: trace = 11.07167518719081 (2.5384e-05% change)
iteration 17: trace = 11.07167456093305 (5.6564e-06% change)
iteration 18: trace = 11.07167451845902 (3.83628e-07% change)
iteration 19: trace = 11.0716745146709 (3.42145e-08% change)
iteration 20: trace = 11.07167451443016 (2.17438e-09% change)
iteration 21: trace = 11.0716745143937 (3.29274e-10% change)
iteration 22: trace = 11.07167451429858 (8.59181e-10% change)
iteration 23: trace = 11.07167451395079 (3.14127e-09% change)
iteration 24: trace = 11.07167451360991 (3.07881e-09% change)
switching back to exact line minimization
iteration 25: trace = 11.07167451351465 (8.60384e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 11.07167451350535 (8.40072e-11% change)
Finished solving for bands 2 to 8 after 26 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991
elapsed time for k point: 0.0025343894958496094
solve_kpoint (0.05,0,0):
Solving for bands 1 to 8...
linmin: converged after 9 iterations.
iteration 1: trace = 11.04205588758829 (0.320414% change)
linmin: converged after 10 iterations.
switching to approximate line minimization (decrease time by 52.7132%)
iteration 2: trace = 11.02779351693405 (0.129248% change)
iteration 3: trace = 11.02770474366341 (0.000804999% change)
switching back to exact line minimization
large trace change predicted (0.093298%)
linmin: converged after 10 iterations.
iteration 4: trace = 11.01806738545238 (0.0874304% change)
linmin: converged after 9 iterations.
iteration 5: trace = 11.01664396786117 (0.0129198% change)
linmin: converged after 8 iterations.
iteration 6: trace = 11.01540335896411 (0.0112619% change)
linmin: converged after 8 iterations.
iteration 7: trace = 11.01433910068472 (0.00966201% change)
linmin: converged after 6 iterations.
iteration 8: trace = 11.01352648290623 (0.00737809% change)
linmin: converged after 7 iterations.
iteration 9: trace = 11.01297351714789 (0.00502091% change)
linmin: converged after 5 iterations.
iteration 10: trace = 11.01260350905 (0.0033598% change)
linmin: converged after 6 iterations.
iteration 11: trace = 11.01234584415078 (0.00233975% change)
linmin: converged after 6 iterations.
iteration 12: trace = 11.01215720223526 (0.00171302% change)
linmin: converged after 6 iterations.
iteration 13: trace = 11.0120125477847 (0.0013136% change)
linmin: converged after 9 iterations.
iteration 14: trace = 11.01189704577475 (0.00104888% change)
linmin: converged after 6 iterations.
iteration 15: trace = 11.01180148311995 (0.000867817% change)
linmin: converged after 5 iterations.
iteration 16: trace = 11.01171986121965 (0.000741225% change)
linmin: converged after 5 iterations.
iteration 17: trace = 11.01164809239446 (0.000651752% change)
linmin: converged after 5 iterations.
iteration 18: trace = 11.01158325938094 (0.000588769% change)
linmin: converged after 7 iterations.
iteration 19: trace = 11.01152317736246 (0.000545627% change)
linmin: converged after 5 iterations.
iteration 20: trace = 11.0114661225731 (0.000518138% change)
linmin: converged after 5 iterations.
iteration 21: trace = 11.01141065778754 (0.000503702% change)
linmin: converged after 5 iterations.
iteration 22: trace = 11.0113555150534 (0.000500779% change)
linmin: converged after 5 iterations.
iteration 23: trace = 11.01129951413431 (0.000508576% change)
linmin: converged after 5 iterations.
iteration 24: trace = 11.01124150482776 (0.000526818% change)
linmin: converged after 5 iterations.
iteration 25: trace = 11.01118032649513 (0.0005556% change)
linmin: converged after 6 iterations.
iteration 26: trace = 11.0111147821799 (0.000595254% change)
linmin: converged after 5 iterations.
iteration 27: trace = 11.01104362807418 (0.000646205% change)
linmin: converged after 5 iterations.
iteration 28: trace = 11.01096557610258 (0.000708854% change)
linmin: converged after 5 iterations.
iteration 29: trace = 11.01087931625818 (0.000783403% change)
linmin: converged after 9 iterations.
iteration 30: trace = 11.01078354941637 (0.000869751% change)
linmin: converged after 6 iterations.
iteration 31: trace = 11.01067703785136 (0.000967343% change)
linmin: converged after 6 iterations.
iteration 32: trace = 11.01055866131577 (0.00107511% change)
linmin: converged after 5 iterations.
iteration 33: trace = 11.01042747679191 (0.00119145% change)
linmin: converged after 5 iterations.
iteration 34: trace = 11.01028276754083 (0.0013143% change)
linmin: converged after 7 iterations.
iteration 35: trace = 11.0101241214797 (0.0014409% change)
linmin: converged after 7 iterations.
iteration 36: trace = 11.00995149577735 (0.00156789% change)
linmin: converged after 7 iterations.
iteration 37: trace = 11.009765237117 (0.00169174% change)
linmin: converged after 5 iterations.
iteration 38: trace = 11.00956622262666 (0.00180763% change)
linmin: converged after 9 iterations.
iteration 39: trace = 11.00935586189142 (0.00191073% change)
linmin: converged after 5 iterations.
iteration 40: trace = 11.00913635928313 (0.0019938% change)
linmin: converged after 5 iterations.
iteration 41: trace = 11.00891043783609 (0.00205215% change)
linmin: converged after 6 iterations.
iteration 42: trace = 11.00868136111914 (0.00208085% change)
linmin: converged after 5 iterations.
iteration 43: trace = 11.00845253219959 (0.00207864% change)
linmin: converged after 6 iterations.
iteration 44: trace = 11.00822712947615 (0.00204756% change)
linmin: converged after 5 iterations.
iteration 45: trace = 11.008007763255 (0.00199277% change)
linmin: converged after 5 iterations.
iteration 46: trace = 11.0077962802063 (0.00192119% change)
linmin: converged after 7 iterations.
iteration 47: trace = 11.00759374623145 (0.00183993% change)
linmin: converged after 5 iterations.
iteration 48: trace = 11.00740060599619 (0.00175462% change)
linmin: converged after 5 iterations.
iteration 49: trace = 11.00721668584921 (0.00167089% change)
linmin: converged after 5 iterations.
iteration 50: trace = 11.00704163269096 (0.00159036% change)
linmin: converged after 6 iterations.
iteration 51: trace = 11.00687488295998 (0.00151495% change)
linmin: converged after 7 iterations.
iteration 52: trace = 11.006715831029 (0.00144503% change)
linmin: converged after 7 iterations.
iteration 53: trace = 11.00656381659426 (0.00138112% change)
linmin: converged after 6 iterations.
iteration 54: trace = 11.00641828211563 (0.00132226% change)
linmin: converged after 6 iterations.
iteration 55: trace = 11.00627872634951 (0.00126796% change)
linmin: converged after 6 iterations.
iteration 56: trace = 11.00614469158994 (0.00121781% change)
linmin: converged after 5 iterations.
iteration 57: trace = 11.00601580408301 (0.00117106% change)
linmin: converged after 5 iterations.
iteration 58: trace = 11.00589174455013 (0.0011272% change)
linmin: converged after 7 iterations.
iteration 59: trace = 11.00577226598542 (0.00108559% change)
linmin: converged after 7 iterations.
iteration 60: trace = 11.00565715829893 (0.00104589% change)
linmin: converged after 6 iterations.
iteration 61: trace = 11.00554624800089 (0.00100776% change)
linmin: converged after 5 iterations.
iteration 62: trace = 11.00543939299803 (0.000970924% change)
linmin: converged after 5 iterations.
iteration 63: trace = 11.00533645790233 (0.000935315% change)
linmin: converged after 8 iterations.
iteration 64: trace = 11.00523733320914 (0.000900701% change)
linmin: converged after 6 iterations.
iteration 65: trace = 11.00514191101923 (0.000867065% change)
linmin: converged after 7 iterations.
iteration 66: trace = 11.00505008860959 (0.000834363% change)
linmin: converged after 6 iterations.
iteration 67: trace = 11.0049617537458 (0.000802679% change)
linmin: converged after 5 iterations.
iteration 68: trace = 11.00487680058111 (0.000771956% change)
linmin: converged after 5 iterations.
iteration 69: trace = 11.00479511006621 (0.000742315% change)
resetting CG direction...
large trace change predicted (0.115538%)
linmin: converged after 14 iterations.
iteration 70: trace = 10.99202108089672 (0.116144% change)
linmin: converged after 6 iterations.
iteration 71: trace = 10.990622399 (0.0127253% change)
linmin: converged after 5 iterations.
iteration 72: trace = 10.98948432221789 (0.0103555% change)
linmin: converged after 6 iterations.
iteration 73: trace = 10.98818648093088 (0.0118105% change)
linmin: converged after 5 iterations.
iteration 74: trace = 10.98802559184759 (0.00146421% change)
linmin: converged after 4 iterations.
iteration 75: trace = 10.98801515656142 (9.49697e-05% change)
linmin: converged after 4 iterations.
iteration 76: trace = 10.9880141268966 (9.3708e-06% change)
linmin: converged after 7 iterations.
iteration 77: trace = 10.98801409633641 (2.78123e-07% change)
linmin: converged after 3 iterations.
iteration 78: trace = 10.98801409322607 (2.83067e-08% change)
linmin: converged after 3 iterations.
iteration 79: trace = 10.98801409322026 (5.29123e-11% change)
Finished solving for bands 1 to 8 after 79 iterations.
tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778
elapsed time for k point: 0.009987592697143555
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 10.90376002011797 (0.0079334% change)
linmin: converged after 3 iterations.
iteration 2: trace = 10.9035980456869 (0.0014855% change)
linmin: converged after 3 iterations.
iteration 3: trace = 10.90350953671486 (0.000811744% change)
linmin: converged after 3 iterations.
iteration 4: trace = 10.90345230243287 (0.000524918% change)
linmin: converged after 4 iterations.
iteration 5: trace = 10.90344655289584 (5.27314e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 10.90344608445392 (4.29627e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.9034460487153 (3.27774e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.90344604735269 (1.24971e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.90344604730559 (4.31926e-10% change)
linmin: converged after 4 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: 0.001211404800415039
solve_kpoint (0.15,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.82874318748971 (0.00713648% change)
linmin: converged after 3 iterations.
iteration 2: trace = 10.82865179051795 (0.000844026% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.8286391456565 (0.000116772% change)
linmin: converged after 5 iterations.
iteration 4: trace = 10.82863201430725 (6.58564e-05% change)
linmin: converged after 5 iterations.
iteration 5: trace = 10.82863047384796 (1.42258e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.82863033630219 (1.2702e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.82863032427763 (1.11044e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.82863032376797 (4.7066e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.8286303237533 (1.35483e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 10.82863032375297 (3.05119e-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: 0.0012359619140625
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.76383414066022 (0.00702665% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.76375283235569 (0.000755387% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.76374658323256 (5.80571e-05% change)
linmin: converged after 5 iterations.
iteration 4: trace = 10.76374528581931 (1.20535e-05% change)
linmin: converged after 31 iterations.
switching to approximate line minimization (decrease time by 74.2489%)
iteration 5: trace = 10.76374486740369 (3.88727e-06% change)
iteration 6: trace = 10.76374482182859 (4.23413e-07% change)
iteration 7: trace = 10.76374481723281 (4.26968e-08% change)
iteration 8: trace = 10.76374481699878 (2.17427e-09% change)
iteration 9: trace = 10.76374481699274 (5.60777e-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: 0.001163482666015625
solve_kpoint (0.25,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.70890918978242 (0.00701169% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.70883098425248 (0.000730287% change)
linmin: converged after 6 iterations.
iteration 3: trace = 10.70882611989436 (4.54238e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.70882574797967 (3.47297e-06% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.70882564389909 (9.71914e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.70882562957837 (1.33728e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.70882562792913 (1.54008e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.70882562781417 (1.07346e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.70882562781128 (2.69717e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782
elapsed time for k point: 0.0011010169982910156
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.66396644581557 (0.00701938% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.6638895643872 (0.000720948% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.66388515749335 (4.13254e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.6638849780741 (1.68249e-06% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.66388495145453 (2.49624e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.66388494762051 (3.59533e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.66388494718304 (4.10242e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.66388494713198 (4.78725e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.66388494713049 (1.40091e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533
elapsed time for k point: 0.0011067390441894531
solve_kpoint (0.35,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.62900860023464 (0.00703179% change)
linmin: converged after 4 iterations.
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 (9.72507e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.62892804597542 (6.2508e-10% change)
linmin: converged after 4 iterations.
iteration 8: trace = 10.62892804596423 (1.05272e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.62892804596352 (6.73513e-12% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841
elapsed time for k point: 0.0010886192321777344
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.60403759597599 (0.00704272% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.60396176516587 (0.000715115% change)
linmin: converged after 5 iterations.
iteration 3: trace = 10.6039576473093 (3.88332e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.60395754101094 (1.00244e-06% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.60395753615697 (4.57751e-08% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.60395753572879 (4.03789e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.60395753570917 (1.85057e-10% change)
linmin: converged after 2 iterations.
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: 0.0010128021240234375
solve_kpoint (0.45,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.58905458874505 (0.00704958% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.58897895638372 (0.000714253% change)
linmin: converged after 8 iterations.
switching to approximate line minimization (decrease time by 50.8475%)
iteration 3: trace = 10.5889748855018 (3.84445e-05% change)
switching back to exact line minimization
iteration 4: trace = 10.58897478737543 (9.26684e-07% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.58897478401991 (3.16888e-08% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.58897478378886 (2.18201e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.58897478377235 (1.55912e-10% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.58897478377203 (2.96927e-12% change)
Finished solving for bands 1 to 8 after 8 iterations.
tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885
elapsed time for k point: 0.0009920597076416016
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.58406017889877 (0.00705116% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.58398461985988 (0.000713897% change)
linmin: converged after 5 iterations.
iteration 3: trace = 10.58398056403726 (3.83204e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.58398046806651 (9.06755e-07% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.58398046509703 (2.80563e-08% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.58398046493153 (1.56373e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.58398046491724 (1.34956e-10% change)
linmin: converged after 1 iterations.
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: 0.0009996891021728516
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.1947746636682031 at Vector3<0.5, 0.0, 0.0>
Band 2 range: 0.3064030262308444 at Vector3<0.5, 0.0, 0.0> to 0.4687748525867576 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5466257501317443 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541648 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.7842615905093828 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436864 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 1.0240548648147687 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025878 at Vector3<0.5, 0.0, 0.0>
Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696967224 at Vector3<0.0, 0.0, 0.0>
Band 7 range: 1.511580099464926 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910502 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.7581683208483647 at Vector3<0.5, 0.0, 0.0> to 1.999907200681132 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.1947746636682031) to band 2 (0.3064030262308444), 44.5464212842861%
Gap from band 2 (0.4687748525867576) to band 3 (0.5466257501317443), 15.33402626245421%
Gap from band 3 (0.7316504426541648) to band 4 (0.7842615905093828), 6.941187444158504%
Gap from band 4 (0.9893486155436864) to band 5 (1.0240548648147687), 3.447520540185362%
Gap from band 5 (1.2440980042025878) to band 6 (1.266656686185507), 1.7969642410133158%
Gap from band 6 (1.4970379696967224) to band 7 (1.511580099464926), 0.9666982936292566%
Gap from band 7 (1.7488359039910502) to band 8 (1.7581683208483647), 0.5322158890608062%
total elapsed time for run: 0.026216745376586914
done
/tmp/meepg15Lzl/test_bragg_sine-0: 0.03s
/tmp/meepg15Lzl/test_compute_field_energy-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013659000396728516
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14389467239379883
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.4063456058502197
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08934450149536133
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08219027519226074
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09522700309753418
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14908194541931152
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11251521110534668
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09567785263061523
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08247971534729004
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07891368865966797
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.0788123607635498
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.0622861385345459
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07248735427856445
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09889411926269531
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11547017097473145
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2547280788421631
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.021047353744507
done
Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
./tmp/meepg15Lzl/test_compute_field_energy-0: 2.02s
/tmp/meepg15Lzl/test_compute_group_velocity-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.001360177993774414
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1436300277709961
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.4044356346130371
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08940744400024414
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08220434188842773
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09530162811279297
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14795732498168945
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.1124885082244873
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09537529945373535
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08226919174194336
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07858109474182129
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.0787191390991211
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06227850914001465
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07210683822631836
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09870290756225586
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11546516418457031
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 0.2548239231109619
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.016399621963501
done
/tmp/meepg15Lzl/test_compute_group_velocity-0: 2.02s
/tmp/meepg15Lzl/test_compute_integrals-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.00135040283203125
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1436464786529541
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.40653562545776367
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08950591087341309
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08218932151794434
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09559464454650879
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14876651763916016
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11223506927490234
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09549570083618164
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08251953125
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07896637916564941
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07867932319641113
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.062219858169555664
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07247567176818848
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09885191917419434
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11559748649597168
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2549149990081787
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0208888053894043
done
Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
H-energy-components:, 16, 8, 0, 0, 1
Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099
./tmp/meepg15Lzl/test_compute_integrals-0: 2.02s
/tmp/meepg15Lzl/test_diamond-0
========================
Initializing eigensolver data
Computing 5 bands with 1e-12 tolerance
Working in 3 dimensions.
Grid size is 16 x 16 x 16.
Solving for 5 bands at a time.
Creating Maxwell data...
Mesh size is 5.
Lattice vectors:
(0, 0.5, 0.5)
(0.5, 0, 0.5)
(0.5, 0.5, 0)
Cell volume = 0.25
Reciprocal lattice vectors (/ 2 pi):
(-1, 1, 1)
(1, -1, 1)
(1, 1, -1)
Geometric objects:
sphere, center = (0.125,0.125,0.125)
radius 0.25
sphere, center = (-0.125,-0.125,-0.125)
radius 0.25
Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: .
Initializing fields to random numbers...
31 k-points
Vector3<0.0, 0.5, 0.5>
Vector3<0.0, 0.525, 0.475>
Vector3<0.0, 0.55, 0.45>
Vector3<0.0, 0.575, 0.425>
Vector3<0.0, 0.6, 0.4>
Vector3<0.0, 0.625, 0.375>
Vector3<0.0, 0.6, 0.3>
Vector3<0.0, 0.575, 0.225>
Vector3<0.0, 0.55, 0.15000000000000002>
Vector3<0.0, 0.525, 0.07500000000000001>
Vector3<0.0, 0.5, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.3, 0.0>
Vector3<0.0, 0.19999999999999996, 0.0>
Vector3<0.0, 0.09999999999999998, 0.0>
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.1>
Vector3<0.0, 0.2, 0.2>
Vector3<0.0, 0.30000000000000004, 0.30000000000000004>
Vector3<0.0, 0.4, 0.4>
Vector3<0.0, 0.5, 0.5>
Vector3<0.05, 0.55, 0.5>
Vector3<0.1, 0.6, 0.5>
Vector3<0.15000000000000002, 0.65, 0.5>
Vector3<0.2, 0.7, 0.5>
Vector3<0.25, 0.75, 0.5>
Vector3<0.275, 0.75, 0.475>
Vector3<0.3, 0.75, 0.45>
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: 0.0208132266998291
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 7.793809388876734 (194.671% change)
linmin: converged after 8 iterations.
iteration 2: trace = 1.602644292878233 (131.777% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.230444137489674 (26.2752% change)
linmin: converged after 7 iterations.
iteration 4: trace = 1.145863323821901 (7.11868% change)
linmin: converged after 7 iterations.
iteration 5: trace = 1.108732460474563 (3.29379% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.095242895867568 (1.22411% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.086567900224123 (0.795211% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.082571254980187 (0.368501% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.079681031773776 (0.267335% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.07784196185811 (0.17048% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.07658971866119 (0.116248% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.075741300120796 (0.0788372% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.075332005396717 (0.0380549% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.075088183570877 (0.0226767% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.074991682595675 (0.0089765% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.074947859516338 (0.00407668% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.074928276104173 (0.00182182% change)
linmin: converged after 8 iterations.
iteration 18: trace = 1.074920023198566 (0.000767766% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.074915815055662 (0.000391485% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.074913897245545 (0.000178415% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.074912797130558 (0.000102345% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.074912135440156 (6.15576e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.074911682476406 (4.21396e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.074911185373714 (4.62459e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.074910350283009 (7.76893e-05% change)
large trace change predicted (0.000205026%)
linmin: converged after 5 iterations.
iteration 26: trace = 1.074908146483132 (0.000205022% change)
large trace change predicted (0.000513652%)
linmin: converged after 5 iterations.
iteration 27: trace = 1.07490262826197 (0.000513368% change)
linmin: converged after 5 iterations.
iteration 28: trace = 1.074894274699342 (0.000777149% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.074885559310737 (0.000810817% change)
linmin: converged after 6 iterations.
iteration 30: trace = 1.074878751252922 (0.000633377% change)
linmin: converged after 7 iterations.
iteration 31: trace = 1.074871979340896 (0.000630018% change)
linmin: converged after 6 iterations.
iteration 32: trace = 1.074864290595143 (0.00071532% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.074857335705497 (0.00064705% change)
linmin: converged after 4 iterations.
iteration 34: trace = 1.074852611926326 (0.000439481% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.074850531090792 (0.000193593% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.074849707707753 (7.66045e-05% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.074849401321547 (2.8505e-05% change)
linmin: converged after 2 iterations.
iteration 38: trace = 1.074849273654745 (1.18776e-05% change)
linmin: converged after 7 iterations.
iteration 39: trace = 1.074849202666278 (6.6045e-06% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.074849166432867 (3.37102e-06% change)
linmin: converged after 2 iterations.
iteration 41: trace = 1.074849150238921 (1.50662e-06% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.074849143715029 (6.06959e-07% change)
linmin: converged after 3 iterations.
iteration 43: trace = 1.074849140933313 (2.58801e-07% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.074849139366316 (1.45788e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.074849138485003 (8.19942e-08% change)
linmin: converged after 4 iterations.
iteration 46: trace = 1.074849138034085 (4.19517e-08% change)
linmin: converged after 2 iterations.
iteration 47: trace = 1.074849137805405 (2.12755e-08% change)
linmin: converged after 2 iterations.
iteration 48: trace = 1.074849137683515 (1.13402e-08% change)
linmin: converged after 2 iterations.
iteration 49: trace = 1.074849137606227 (7.19065e-09% change)
linmin: converged after 2 iterations.
iteration 50: trace = 1.074849137561233 (4.18604e-09% change)
linmin: converged after 3 iterations.
iteration 51: trace = 1.074849137540571 (1.92229e-09% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.074849137533237 (6.82361e-10% change)
linmin: converged after 3 iterations.
iteration 53: trace = 1.074849137531041 (2.04289e-10% change)
linmin: converged after 4 iterations.
iteration 54: trace = 1.074849137530269 (7.18493e-11% change)
Finished solving for bands 1 to 5 after 54 iterations.
freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208
elapsed time for k point: 0.3998570442199707
solve_kpoint (0,0.525,0.475):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.075858895003848 (0.603183% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.073482649228938 (0.221114% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.072517250925701 (0.0899719% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.07226731835112 (0.0233061% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.072198684379732 (0.00640103% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.072184614555412 (0.00131225% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.072176813446787 (0.000727593% change)
linmin: converged after 6 iterations.
iteration 8: trace = 1.072174588825062 (0.000207487% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.072173275829781 (0.000122461% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.072172792730832 (4.50579e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.072172507137298 (2.66369e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 1.072172093455102 (3.85836e-05% change)
linmin: converged after 13 iterations.
iteration 13: trace = 1.072171277805736 (7.60745e-05% change)
large trace change predicted (0.000180553%)
linmin: converged after 5 iterations.
iteration 14: trace = 1.072169342022187 (0.000180548% change)
linmin: converged after 16 iterations.
iteration 15: trace = 1.072167408079079 (0.000180377% change)
linmin: converged after 6 iterations.
iteration 16: trace = 1.072166456174473 (8.87832e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.072165970166683 (4.53295e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.072165682214035 (2.68571e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.072165408274992 (2.55501e-05% change)
linmin: converged after 6 iterations.
iteration 20: trace = 1.072165207652325 (1.87119e-05% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.07216510367804 (9.6976e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.072165061729352 (3.91252e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.072165050577685 (1.04011e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.072165047945189 (2.45531e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.072165047308095 (5.94212e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.072165047160103 (1.38031e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.072165047103967 (5.2358e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.07216504707559 (2.64669e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.072165047058603 (1.58435e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.072165047048055 (9.83784e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.072165047042511 (5.17065e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.072165047039758 (2.56782e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.07216504703864 (1.04254e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.072165047038117 (4.88547e-11% change)
Finished solving for bands 1 to 5 after 34 iterations.
freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208
elapsed time for k point: 0.2527585029602051
solve_kpoint (0,0.55,0.45):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.068440466045205 (0.573523% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.066480807479963 (0.183581% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.065774667547763 (0.0662341% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.065585967274126 (0.017707% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.065530753732716 (0.00518165% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.065516120758966 (0.00137331% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.065506870654358 (0.000868137% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.065504384713838 (0.000233311% change)
linmin: converged after 18 iterations.
iteration 9: trace = 1.065503073473254 (0.000123063% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.065502572123757 (4.70529e-05% change)
linmin: converged after 7 iterations.
iteration 11: trace = 1.065502157725804 (3.88923e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.06550155124787 (5.69195e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.065500878596151 (6.31301e-05% change)
linmin: converged after 6 iterations.
iteration 14: trace = 1.065500247906648 (5.91919e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.065499909234968 (3.17852e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.065499690826473 (2.04982e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.065499506928749 (1.72593e-05% change)
linmin: converged after 20 iterations.
iteration 18: trace = 1.065499383728922 (1.15626e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.065499315698634 (6.38483e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.065499294220984 (2.01574e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.065499288548681 (5.32361e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.065499287022425 (1.43243e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.065499286677926 (3.23321e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.065499286595517 (7.73437e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.065499286570307 (2.36595e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.065499286559613 (1.00371e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.065499286551562 (7.5564e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.065499286546965 (4.31377e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.0654992865453 (1.56254e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.06549928654484 (4.31794e-11% change)
Finished solving for bands 1 to 5 after 30 iterations.
freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501
elapsed time for k point: 0.2239513397216797
solve_kpoint (0,0.575,0.425):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.059540504499355 (0.530657% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.05798354916432 (0.147054% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.057502090064032 (0.0455176% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.057358559154869 (0.0135736% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.057314691601922 (0.00414887% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.057300876214259 (0.00130666% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.057292723699835 (0.000771072% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.057291059110143 (0.000157439% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.057290409951241 (6.13983e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.057290221445181 (1.78292e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 1.057290112028999 (1.03487e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 1.057289958936161 (1.44797e-05% change)
linmin: converged after 16 iterations.
iteration 13: trace = 1.057289789269395 (1.60473e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.057289654908358 (1.27081e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.05728960466552 (4.75204e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.057289590705038 (1.3204e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.057289585702304 (4.73166e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.057289583780866 (1.81732e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.057289582678028 (1.04308e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.057289582066726 (5.78179e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.05728958183277 (2.21279e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.057289581749869 (7.8409e-09% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.057289581718886 (2.93044e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.057289581697566 (2.01644e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.057289581676837 (1.96064e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.057289581662593 (1.34719e-09% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.057289581656746 (5.52964e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.057289581655314 (1.355e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.057289581654965 (3.30141e-11% change)
Finished solving for bands 1 to 5 after 29 iterations.
freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601
elapsed time for k point: 0.21616911888122559
solve_kpoint (0,0.6,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.051100648814141 (0.506611% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.049691285821747 (0.134174% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.049314899107921 (0.0358633% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.049185433172377 (0.0123389% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.049147911038267 (0.00357637% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.049135854260348 (0.0011492% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.049129471311554 (0.000608402% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.049128247387994 (0.000116661% change)
linmin: converged after 2 iterations.
iteration 9: trace = 1.04912779156954 (4.34474e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.049127676630066 (1.09557e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 1.049127634485117 (4.01714e-06% change)
linmin: converged after 26 iterations.
iteration 12: trace = 1.04912759548366 (3.71751e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.049127554116296 (3.94303e-06% change)
linmin: converged after 22 iterations.
iteration 14: trace = 1.049127517065815 (3.53155e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.049127502744468 (1.36507e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.049127499460315 (3.13037e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.049127498551341 (8.66409e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 1.049127498234713 (3.01801e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.049127497940215 (2.80708e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.049127497468462 (4.49663e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.049127497017252 (4.30081e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 1.049127496798793 (2.0823e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.049127496735693 (6.01448e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 1.049127496715387 (1.93557e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.049127496707381 (7.63051e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.049127496704079 (3.14782e-10% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.049127496702446 (1.55666e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.049127496701628 (7.79284e-11% change)
Finished solving for bands 1 to 5 after 28 iterations.
freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014
elapsed time for k point: 0.20875215530395508
solve_kpoint (0,0.625,0.375):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.043459216722463 (0.506828% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.041988342828767 (0.141061% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.041637917013636 (0.0336361% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.04150010817998 (0.0132309% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.041466538801386 (0.00322323% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.041456832909056 (0.000931949% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.04145212968613 (0.000451601% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.041451113409441 (9.75827e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 1.041450688275374 (4.08213e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.041450583335705 (1.00763e-05% change)
linmin: converged after 15 iterations.
iteration 11: trace = 1.04145055102366 (3.1026e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 1.041450527028424 (2.30402e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.041450494527918 (3.1207e-06% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.04145043539497 (5.67794e-06% change)
linmin: converged after 7 iterations.
iteration 15: trace = 1.041450384495773 (4.88734e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.041450353324324 (2.99308e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.041450318415118 (3.35198e-06% change)
linmin: converged after 23 iterations.
iteration 18: trace = 1.041450255970096 (5.99597e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 1.041450142733959 (1.08729e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.041450060666096 (7.88015e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.041450032793385 (2.67634e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.041450025149674 (7.33949e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.041450023239037 (1.83459e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.04145002251745 (6.92867e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.041450022090024 (4.10414e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.04145002159701 (4.73392e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.041450020726602 (8.35766e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.041450019065773 (1.59473e-07% change)
large trace change predicted (4.189e-07%)
linmin: converged after 2 iterations.
iteration 29: trace = 1.04145001470314 (4.189e-07% change)
large trace change predicted (1.19651e-06%)
linmin: converged after 16 iterations.
iteration 30: trace = 1.041450002242192 (1.1965e-06% change)
large trace change predicted (3.27802e-06%)
linmin: converged after 3 iterations.
iteration 31: trace = 1.04144996810502 (3.27785e-06% change)
large trace change predicted (7.60992e-06%)
linmin: converged after 3 iterations.
iteration 32: trace = 1.041449888872006 (7.60795e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.041449762143182 (1.21685e-05% change)
linmin: converged after 8 iterations.
iteration 34: trace = 1.041449617733145 (1.38663e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 1.041449518800372 (9.49953e-06% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.041449483215252 (3.41688e-06% change)
linmin: converged after 7 iterations.
iteration 37: trace = 1.041449473025162 (9.78453e-07% change)
linmin: converged after 5 iterations.
iteration 38: trace = 1.041449470385734 (2.53438e-07% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.041449469588867 (7.65151e-08% change)
linmin: converged after 20 iterations.
iteration 40: trace = 1.041449469287295 (2.8957e-08% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.041449469189142 (9.42459e-09% change)
linmin: converged after 10 iterations.
iteration 42: trace = 1.041449469160062 (2.79229e-09% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.04144946915253 (7.23263e-10% change)
linmin: converged after 3 iterations.
iteration 44: trace = 1.04144946915032 (2.12205e-10% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.041449469149446 (8.38971e-11% change)
Finished solving for bands 1 to 5 after 45 iterations.
freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514
elapsed time for k point: 0.3338472843170166
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/meepg15Lzl/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/meepg15Lzl/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/meepg15Lzl/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/meepg15Lzl/test_diamond-0-dpwr.k06.b04.h5...
D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805
Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979
D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046
Outputting /tmp/meepg15Lzl/test_diamond-0-dpwr.k06.b05.h5...
D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046
solve_kpoint (0,0.6,0.3):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 1.039665448918141 (2.28714% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.03126174447369 (0.811589% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.027058258259599 (0.408439% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.020314522193447 (0.65877% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.016895452943936 (0.335662% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.013850701572565 (0.299865% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.012826541833987 (0.101068% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.012456630988233 (0.0365293% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.012302653572539 (0.0152095% change)
linmin: converged after 3 iterations.
iteration 10: trace = 1.012263470101499 (0.0038708% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.012248751191856 (0.00145407% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.012243323298405 (0.000536223% change)
linmin: converged after 6 iterations.
iteration 13: trace = 1.012239242815871 (0.000403114% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.012234289032094 (0.00048939% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.012226176757293 (0.000801426% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.012212339553813 (0.00136702% change)
linmin: converged after 7 iterations.
iteration 17: trace = 1.012198494702927 (0.00136779% change)
linmin: converged after 6 iterations.
iteration 18: trace = 1.012188204927564 (0.00101658% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.012182979177564 (0.000516284% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.012180431891034 (0.000251663% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.012179050266534 (0.0001365% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.012178436832588 (6.06053e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.012178138308118 (2.94933e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.012178008609885 (1.28138e-05% change)
linmin: converged after 3 iterations.
iteration 25: trace = 1.012177948013927 (5.98669e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.012177914414934 (3.31947e-06% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.012177899398552 (1.48357e-06% change)
linmin: converged after 6 iterations.
iteration 28: trace = 1.012177891703032 (7.60293e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.012177888011668 (3.64695e-07% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.012177886482547 (1.51072e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.012177885943443 (5.32618e-08% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.012177885797334 (1.44352e-08% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.012177885757129 (3.97212e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.012177885742624 (1.43305e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.01217788573651 (6.04e-10% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.012177885733493 (2.98062e-10% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.012177885731931 (1.54285e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.01217788573071 (1.20677e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.012177885728822 (1.86489e-10% change)
large trace change predicted (3.79806e-10%)
linmin: converged after 3 iterations.
iteration 40: trace = 1.012177885724983 (3.7934e-10% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.012177885719431 (5.48542e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 1.012177885715906 (3.48233e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 1.012177885714417 (1.47068e-10% change)
linmin: converged after 6 iterations.
iteration 44: trace = 1.012177885713607 (8.00492e-11% change)
Finished solving for bands 1 to 5 after 44 iterations.
freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291
elapsed time for k point: 0.32593297958374023
solve_kpoint (0,0.575,0.225):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 0.9915573055188105 (2.26017% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9866607516796273 (0.495047% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.985915134572086 (0.0755983% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9856473004079666 (0.0271697% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9855722861007572 (0.00761095% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9855592500247952 (0.0013227% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9855531508569249 (0.000618855% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.9855520633527013 (0.000110345% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.9855516310521106 (4.38638e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.9855514450622063 (1.88717e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.9855513230133151 (1.23838e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.9855511986808408 (1.26155e-05% change)
linmin: converged after 14 iterations.
iteration 13: trace = 0.9855510508800431 (1.49968e-05% change)
large trace change predicted (3.62683e-05%)
linmin: converged after 4 iterations.
iteration 14: trace = 0.9855506934425549 (3.62678e-05% change)
large trace change predicted (0.000117862%)
linmin: converged after 3 iterations.
iteration 15: trace = 0.9855495321097341 (0.000117836% change)
large trace change predicted (0.00166434%)
linmin: converged after 7 iterations.
iteration 16: trace = 0.9855348565844813 (0.00148908% change)
near maximum in trace
linmin: converged after 10 iterations.
iteration 17: trace = 0.9854855136907122 (0.00500684% change)
linmin: converged after 6 iterations.
iteration 18: trace = 0.9854692412137787 (0.00165123% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.9854542312192751 (0.00152314% change)
linmin: converged after 5 iterations.
iteration 20: trace = 0.9854392662898253 (0.00151859% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.9854239738374098 (0.00155185% change)
linmin: converged after 5 iterations.
iteration 22: trace = 0.9854083703854308 (0.00158344% change)
linmin: converged after 7 iterations.
iteration 23: trace = 0.9853925763868612 (0.0016028% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.9853765755222155 (0.00162382% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.9853601724904575 (0.00166466% change)
linmin: converged after 6 iterations.
iteration 26: trace = 0.9853431529185689 (0.00172726% change)
linmin: converged after 6 iterations.
iteration 27: trace = 0.9853255062152675 (0.00179094% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.9853075669332334 (0.00182066% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.9852899530731823 (0.00178767% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.9852733064681282 (0.00168953% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.9852580378801779 (0.00154969% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.9852442584665031 (0.00139857% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.9852318665432616 (0.00125776% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.9852206658413795 (0.00113687% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.9852104475657839 (0.00103716% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.985201030587406 (0.000955839% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.9851922745104321 (0.000888764% change)
linmin: converged after 6 iterations.
iteration 38: trace = 0.985184078898952 (0.000831883% change)
linmin: converged after 4 iterations.
iteration 39: trace = 0.9851763765317376 (0.000781823% change)
linmin: converged after 5 iterations.
iteration 40: trace = 0.9851691247369359 (0.000736094% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.9851622968634405 (0.000693069% change)
linmin: converged after 5 iterations.
iteration 42: trace = 0.9851558749686684 (0.000651864% change)
linmin: converged after 4 iterations.
iteration 43: trace = 0.9851498442474425 (0.000612161% change)
linmin: converged after 5 iterations.
iteration 44: trace = 0.9851441893299313 (0.000574018% change)
linmin: converged after 7 iterations.
iteration 45: trace = 0.9851388922795947 (0.000537694% change)
linmin: converged after 5 iterations.
iteration 46: trace = 0.9851339319745713 (0.000503515% change)
linmin: converged after 6 iterations.
iteration 47: trace = 0.9851292842174566 (0.00047179% change)
linmin: converged after 6 iterations.
iteration 48: trace = 0.9851249227544374 (0.000442731% change)
linmin: converged after 5 iterations.
iteration 49: trace = 0.9851208201354336 (0.000416458% change)
linmin: converged after 6 iterations.
iteration 50: trace = 0.985116948670044 (0.000392995% change)
linmin: converged after 6 iterations.
iteration 51: trace = 0.9851132814158994 (0.000372267% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.985109792752574 (0.000354139% change)
linmin: converged after 6 iterations.
iteration 53: trace = 0.9851064589339564 (0.000338422% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.985103258433947 (0.000324889% change)
linmin: converged after 5 iterations.
iteration 55: trace = 0.9851001721178921 (0.000313299% change)
linmin: converged after 6 iterations.
iteration 56: trace = 0.9850971833422346 (0.000303399% change)
linmin: converged after 6 iterations.
iteration 57: trace = 0.9850942779612889 (0.000294934% change)
linmin: converged after 5 iterations.
iteration 58: trace = 0.9850914442739287 (0.000287657% change)
linmin: converged after 6 iterations.
iteration 59: trace = 0.9850886728973864 (0.000281332% change)
linmin: converged after 8 iterations.
iteration 60: trace = 0.9850859566438679 (0.000275737% change)
linmin: converged after 3 iterations.
iteration 61: trace = 0.985083290302922 (0.000270671% change)
linmin: converged after 5 iterations.
iteration 62: trace = 0.9850806704322035 (0.000265955% change)
linmin: converged after 6 iterations.
iteration 63: trace = 0.9850780951153988 (0.000261432% change)
linmin: converged after 5 iterations.
iteration 64: trace = 0.9850755636853383 (0.000256978% change)
linmin: converged after 7 iterations.
iteration 65: trace = 0.9850730764535367 (0.000252492% change)
linmin: converged after 6 iterations.
iteration 66: trace = 0.9850706344229587 (0.000247904% change)
linmin: converged after 5 iterations.
iteration 67: trace = 0.9850682390428733 (0.000243169% change)
linmin: converged after 5 iterations.
iteration 68: trace = 0.9850658919478763 (0.000238268% change)
linmin: converged after 6 iterations.
iteration 69: trace = 0.9850635947572814 (0.000233202% change)
resetting CG direction...
large trace change predicted (0.0412898%)
linmin: converged after 4 iterations.
iteration 70: trace = 0.9846563226321232 (0.0413533% change)
linmin: converged after 4 iterations.
iteration 71: trace = 0.9844601744110943 (0.0199225% change)
linmin: converged after 4 iterations.
iteration 72: trace = 0.9843700908035093 (0.00915098% change)
linmin: converged after 5 iterations.
iteration 73: trace = 0.9843454544632328 (0.00250278% change)
linmin: converged after 5 iterations.
iteration 74: trace = 0.9843309741800621 (0.00147107% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.9843269360335394 (0.000410244% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.984325925508553 (0.000102662% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.9843252602722731 (6.7583e-05% change)
linmin: converged after 9 iterations.
iteration 78: trace = 0.9843249585532741 (3.06524e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 0.984324827002671 (1.33646e-05% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.9843247642174826 (6.3785e-06% change)
linmin: converged after 21 iterations.
iteration 81: trace = 0.9843247334142549 (3.12938e-06% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.9843247239633147 (9.60145e-07% change)
linmin: converged after 4 iterations.
iteration 83: trace = 0.9843247200132017 (4.01302e-07% change)
linmin: converged after 4 iterations.
iteration 84: trace = 0.9843247177623149 (2.28673e-07% change)
linmin: converged after 4 iterations.
iteration 85: trace = 0.9843247140412077 (3.78037e-07% change)
large trace change predicted (8.17026e-07%)
linmin: converged after 4 iterations.
iteration 86: trace = 0.9843247059989855 (8.17029e-07% change)
large trace change predicted (1.83753e-06%)
linmin: converged after 4 iterations.
iteration 87: trace = 0.9843246879119369 (1.83751e-06% change)
linmin: converged after 3 iterations.
iteration 88: trace = 0.9843246566951747 (3.17139e-06% change)
linmin: converged after 15 iterations.
iteration 89: trace = 0.9843246205606317 (3.671e-06% change)
linmin: converged after 4 iterations.
iteration 90: trace = 0.9843246064917273 (1.4293e-06% change)
linmin: converged after 5 iterations.
iteration 91: trace = 0.9843246017421499 (4.82521e-07% change)
linmin: converged after 3 iterations.
iteration 92: trace = 0.9843246002813074 (1.48411e-07% change)
linmin: converged after 3 iterations.
iteration 93: trace = 0.9843245999240422 (3.62955e-08% change)
linmin: converged after 3 iterations.
iteration 94: trace = 0.9843245998040482 (1.21905e-08% change)
linmin: converged after 4 iterations.
iteration 95: trace = 0.9843245997561223 (4.86891e-09% change)
linmin: converged after 3 iterations.
iteration 96: trace = 0.9843245997430943 (1.32355e-09% change)
linmin: converged after 4 iterations.
iteration 97: trace = 0.9843245997404594 (2.67685e-10% change)
linmin: converged after 5 iterations.
iteration 98: trace = 0.9843245997396673 (8.04646e-11% change)
Finished solving for bands 1 to 5 after 98 iterations.
freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723
elapsed time for k point: 0.721135139465332
solve_kpoint (0,0.55,0.15):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 0.9646769163082063 (2.39738% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9596027655498416 (0.527382% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.9585165712859467 (0.113256% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9579432893176263 (0.0598272% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.957753478271237 (0.0198164% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9577044743110649 (0.00511668% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9576786087113478 (0.00270083% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.9576698781006379 (0.000911647% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.9576629132448566 (0.000727274% change)
linmin: converged after 6 iterations.
iteration 10: trace = 0.9576596029412843 (0.000345665% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.9576578418244525 (0.000183898% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.9576568119851189 (0.000107537% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.9576563729712588 (4.58425e-05% change)
linmin: converged after 19 iterations.
iteration 14: trace = 0.9576561629432221 (2.19315e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9576560823100085 (8.41985e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9576560023094209 (8.35379e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.9576558845381139 (1.22979e-05% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.9576557606446515 (1.29372e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 0.9576556898706394 (7.39034e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9576556668427911 (2.40461e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.9576556603473727 (6.78262e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.957655658603465 (1.82102e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.9576556582296492 (3.90345e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.9576556581384016 (9.52822e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.9576556581169053 (2.24467e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.9576556581121123 (5.00499e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.9576556581107218 (1.45192e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.9576556581103823 (3.54518e-11% change)
Finished solving for bands 1 to 5 after 28 iterations.
freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575
elapsed time for k point: 0.20988202095031738
solve_kpoint (0,0.525,0.075):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 0.9479336872150527 (2.3896% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9430867597778365 (0.512626% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.941981873965237 (0.117225% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9413709083882282 (0.0648806% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9411784896544571 (0.0204424% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9411437673764198 (0.0036893% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9411282197691544 (0.001652% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.9411228844482352 (0.000566909% change)
linmin: converged after 7 iterations.
iteration 9: trace = 0.941117722411677 (0.000548499% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.9411142194231239 (0.000372216% change)
linmin: converged after 6 iterations.
iteration 11: trace = 0.9411125302492718 (0.000179487% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.9411116700164435 (9.1406e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.9411114151351252 (2.7083e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.941111312557934 (1.08996e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9411112840457978 (3.02962e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9411112731925684 (1.15324e-06% change)
linmin: converged after 26 iterations.
iteration 17: trace = 0.9411112675855979 (5.95782e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.9411112644312605 (3.35172e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9411112620729626 (2.50587e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9411112600571808 (2.14192e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.9411112586302771 (1.51619e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.9411112579896637 (6.80699e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.941111257817919 (1.82491e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.9411112577748142 (4.58021e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.9411112577644222 (1.10423e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.941111257762292 (2.26348e-10% change)
linmin: converged after 2 iterations.
iteration 27: trace = 0.9411112577617193 (6.08486e-11% change)
Finished solving for bands 1 to 5 after 27 iterations.
freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057
elapsed time for k point: 0.2022106647491455
solve_kpoint (0,0.5,0):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 0.9431496225335785 (2.3985% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.9380796204968544 (0.539009% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.9367721035397323 (0.13948% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9359917825716043 (0.0833336% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9357711657243539 (0.0235732% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9357390464145803 (0.00343245% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9357282065214862 (0.00115844% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.935726090656777 (0.00022612% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.9357251462394749 (0.000100929% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.9357245153926679 (6.7418e-05% change)
linmin: converged after 9 iterations.
iteration 11: trace = 0.935724118685711 (4.23957e-05% change)
linmin: converged after 17 iterations.
iteration 12: trace = 0.9357237683382605 (3.74413e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.9357236170895014 (1.61638e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.9357235495974339 (7.21282e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9357235309444131 (1.99343e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9357235256266005 (5.6831e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.9357235236195143 (2.14496e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.9357235229374928 (7.28871e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9357235227208449 (2.3153e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9357235226594707 (6.55901e-09% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.9357235226426122 (1.80166e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.9357235226371357 (5.8527e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.9357235226350287 (2.25171e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.9357235226340201 (1.0778e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.9357235226332373 (8.36591e-11% change)
Finished solving for bands 1 to 5 after 25 iterations.
freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558
elapsed time for k point: 0.18717217445373535
solve_kpoint (0,0.4,0):
Solving for bands 1 to 5...
linmin: converged after 6 iterations.
iteration 1: trace = 0.9531656172626821 (2.95521% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9465651869298922 (0.694881% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.9460975825933921 (0.0494123% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9458503027170811 (0.0261402% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.9458090123516516 (0.00436552% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9457956329513351 (0.00141461% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9457917144910897 (0.000414304% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.9457908288630771 (9.36388e-05% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.9457904833985004 (3.65265e-05% change)
linmin: converged after 8 iterations.
iteration 10: trace = 0.9457903738934191 (1.15782e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.9457903287956915 (4.76826e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.9457903098667371 (2.00139e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.945790300833286 (9.55122e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.9457902938373184 (7.39695e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9457902889826169 (5.13296e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9457902856358911 (3.53855e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.9457902842649593 (1.44951e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.9457902838788874 (4.082e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9457902837821091 (1.02325e-08% change)
linmin: converged after 6 iterations.
iteration 20: trace = 0.9457902837614061 (2.18896e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.9457902837571451 (4.50515e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 0.9457902837561455 (1.05694e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.945790283755921 (2.37354e-11% change)
Finished solving for bands 1 to 5 after 23 iterations.
freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351
elapsed time for k point: 0.17316126823425293
solve_kpoint (0,0.3,0):
Solving for bands 1 to 5...
linmin: converged after 6 iterations.
iteration 1: trace = 0.9838330564819231 (2.82864% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9767698261618407 (0.720516% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.975990834248063 (0.0797837% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9754521141782281 (0.0552125% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.975343923966862 (0.0110919% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9752879087036856 (0.00574329% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9752720379978688 (0.0016273% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.9752675452795285 (0.000460664% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.9752661173620061 (0.000146413% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.9752657982804043 (3.27174e-05% change)
linmin: converged after 8 iterations.
iteration 11: trace = 0.9752656737712461 (1.27667e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.975265598656986 (7.70193e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.9752655199382996 (8.07151e-06% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.975265458605133 (6.28887e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9752654363667408 (2.28024e-06% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.9752654288851366 (7.67135e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.9752654270617361 (1.86965e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.9752654266193436 (4.53612e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9752654264923916 (1.30172e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9752654264573508 (3.59294e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.9752654264468741 (1.07424e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.9752654264434993 (3.46033e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.9752654264424245 (1.10207e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.9752654264419814 (4.54328e-11% change)
Finished solving for bands 1 to 5 after 24 iterations.
freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633
elapsed time for k point: 0.17981410026550293
solve_kpoint (0,0.2,0):
Solving for bands 1 to 5...
linmin: converged after 7 iterations.
iteration 1: trace = 1.031310457525339 (2.74381% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.023001395901209 (0.808939% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.020944596104372 (0.201258% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.019196682336968 (0.171352% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.018718077778314 (0.04697% change)
linmin: converged after 3 iterations.
iteration 6: trace = 1.018308274746612 (0.0402354% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.018176585208324 (0.012933% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.018122381585613 (0.00532374% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.018108141501955 (0.00139867% change)
linmin: converged after 3 iterations.
iteration 10: trace = 1.01810468837719 (0.000339171% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.018103724639192 (9.46601e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 1.018103471304881 (2.4883e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.018103337799628 (1.31131e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.018103254441739 (8.18757e-06% change)
linmin: converged after 17 iterations.
iteration 15: trace = 1.018103204661031 (4.88955e-06% change)
linmin: converged after 8 iterations.
iteration 16: trace = 1.018103175566654 (2.8577e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.018103161363209 (1.39509e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 1.018103152357129 (8.84594e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.018103147246914 (5.01935e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.018103144530303 (2.66831e-07% change)
linmin: converged after 8 iterations.
iteration 21: trace = 1.018103143433503 (1.0773e-07% change)
linmin: converged after 16 iterations.
iteration 22: trace = 1.018103143020116 (4.06036e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.018103142868816 (1.4861e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.018103142826693 (4.13738e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.018103142813693 (1.27687e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 1.018103142809127 (4.48537e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.018103142807081 (2.00889e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.018103142806048 (1.01546e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.018103142805607 (4.32485e-11% change)
Finished solving for bands 1 to 5 after 29 iterations.
freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923
elapsed time for k point: 0.2162156105041504
solve_kpoint (0,0.1,0):
Solving for bands 1 to 5...
linmin: converged after 9 iterations.
iteration 1: trace = 1.077079219748294 (2.88237% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.066262027914489 (1.00938% change)
linmin: converged after 7 iterations.
iteration 3: trace = 1.059824264961903 (0.605598% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.056454446691333 (0.318466% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.055117395208793 (0.12664% change)
linmin: converged after 7 iterations.
iteration 6: trace = 1.053973327355148 (0.108489% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.053442526128483 (0.0503746% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.053206381305628 (0.022419% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.053116219805339 (0.00856103% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.053071769622508 (0.00422091% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.053056103815011 (0.00148764% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.053047222787794 (0.000843361% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.053042139513933 (0.000482722% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.053037941123147 (0.000398692% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.053035343143514 (0.000246713% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.053034079935653 (0.000119959% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.053033595937136 (4.59623e-05% change)
linmin: converged after 7 iterations.
iteration 18: trace = 1.053033362151741 (2.22011e-05% change)
linmin: converged after 9 iterations.
iteration 19: trace = 1.053033220622987 (1.34401e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.053033136180599 (8.01897e-06% change)
linmin: converged after 10 iterations.
iteration 21: trace = 1.053033092856761 (4.1142e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.053033069955637 (2.17478e-06% change)
linmin: converged after 20 iterations.
iteration 23: trace = 1.053033056567452 (1.27139e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.053033050086778 (6.15429e-07% change)
linmin: converged after 7 iterations.
iteration 25: trace = 1.053033046929906 (2.99788e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.053033045492603 (1.36492e-07% change)
linmin: converged after 30 iterations.
iteration 27: trace = 1.053033044713362 (7.39996e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.05303304419562 (4.91668e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.05303304381155 (3.64727e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.05303304357991 (2.19975e-08% change)
linmin: converged after 12 iterations.
iteration 31: trace = 1.053033043469699 (1.0466e-08% change)
linmin: converged after 7 iterations.
iteration 32: trace = 1.053033043429301 (3.8363e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.0530330434156 (1.3011e-09% change)
linmin: converged after 13 iterations.
iteration 34: trace = 1.053033043410165 (5.16106e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.053033043407258 (2.7606e-10% change)
linmin: converged after 5 iterations.
iteration 36: trace = 1.053033043404644 (2.4829e-10% change)
linmin: converged after 9 iterations.
iteration 37: trace = 1.053033043402348 (2.1801e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.053033043401221 (1.07055e-10% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.053033043400877 (3.26625e-11% change)
Finished solving for bands 1 to 5 after 39 iterations.
freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052
elapsed time for k point: 0.28907108306884766
solve_kpoint (0,0,0):
Solving for bands 3 to 5...
linmin: converged after 7 iterations.
iteration 1: trace = 1.125418509190836 (26.786% change)
linmin: converged after 6 iterations.
iteration 2: trace = 1.086199374680966 (3.54665% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.077433840602779 (0.810261% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.070916422402577 (0.606737% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.067955177230516 (0.276898% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.066404296467224 (0.145325% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.065591405105607 (0.0762564% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.065169288340976 (0.0396212% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.064947504768299 (0.0208236% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.064821092340354 (0.011871% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.064775779630051 (0.00425552% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.064759862322812 (0.00149491% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.064754343598675 (0.000518308% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.064752586160355 (0.000165056% change)
linmin: converged after 6 iterations.
iteration 15: trace = 1.06475193418626 (6.12325e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.064751716375277 (2.04565e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.064751641473009 (7.03472e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.064751608763356 (3.07205e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.06475159444411 (1.34484e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.064751588378962 (5.6963e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.064751585065904 (3.11158e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.064751582775834 (2.1508e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.064751581427304 (1.26652e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.064751580863343 (5.29664e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.064751580697916 (1.55367e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.064751580656116 (3.92583e-09% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.064751580642665 (1.2633e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.06475158063819 (4.20211e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.064751580636453 (1.63184e-10% change)
linmin: converged after 5 iterations.
iteration 30: trace = 1.064751580635709 (6.98613e-11% change)
Finished solving for bands 3 to 5 after 30 iterations.
freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839
elapsed time for k point: 0.11794900894165039
solve_kpoint (0,0.1,0.1):
Solving for bands 1 to 5...
linmin: converged after 9 iterations.
iteration 1: trace = 1.083139123993515 (4.15252% change)
linmin: converged after 8 iterations.
iteration 2: trace = 1.067759464050544 (1.43007% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.058743055847533 (0.848004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.055821359692891 (0.27634% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.055194292753252 (0.059409% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.054515707102696 (0.0643298% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.054199358517807 (0.0300039% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.054015026128709 (0.0174871% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.053945642710522 (0.00658299% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.053916462348828 (0.00276872% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.053905508373106 (0.00103936% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.053902318616982 (0.000302661% change)
linmin: converged after 3 iterations.
iteration 13: trace = 1.053901410289628 (8.61871e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.053901190385522 (2.08657e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.053901094722907 (9.077e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.053901042329603 (4.97137e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.053901016387587 (2.46152e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.053901002297739 (1.33692e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.053900994619984 (7.28508e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.053900989320632 (5.02832e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.053900987123137 (2.08511e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.053900986524413 (5.68102e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.053900986366484 (1.49852e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.053900986325053 (3.93117e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.053900986310451 (1.38559e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.053900986303701 (6.40492e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.053900986300592 (2.94985e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.05390098629891 (1.59575e-10% change)
linmin: converged after 7 iterations.
iteration 29: trace = 1.0539009862981 (7.6817e-11% change)
Finished solving for bands 1 to 5 after 29 iterations.
freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581
elapsed time for k point: 0.21651363372802734
solve_kpoint (0,0.2,0.2):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.065595398928579 (3.90048% change)
linmin: converged after 6 iterations.
iteration 2: trace = 1.05545012730131 (0.956629% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.052399474005146 (0.289456% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.05104742363618 (0.128556% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.050891451863719 (0.0148408% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.050820039910738 (0.0067956% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.050776389407954 (0.00415403% change)
linmin: converged after 22 iterations.
iteration 8: trace = 1.050735518700124 (0.00388965% change)
linmin: converged after 9 iterations.
iteration 9: trace = 1.050712406629498 (0.00219963% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.050703645182211 (0.000833861% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.05070052794763 (0.000296681% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.050699532774888 (9.47152e-05% change)
linmin: converged after 7 iterations.
iteration 13: trace = 1.050699177150718 (3.38464e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.050699067583428 (1.0428e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.050699026853781 (3.87643e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.050699005022337 (2.0778e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.05069898996691 (1.4329e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.050698977063516 (1.22808e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.050698967444914 (9.15448e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.05069896036237 (6.74079e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.050698956757341 (3.43108e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.050698955164584 (1.5159e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.050698954594422 (5.42651e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.050698954368867 (2.14671e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.050698954208976 (1.52176e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.050698954069499 (1.32747e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.050698953980485 (8.4719e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.05069895394582 (3.29923e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.050698953935617 (9.71084e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.050698953931685 (3.74182e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.050698953929971 (1.63126e-10% change)
linmin: converged after 5 iterations.
iteration 32: trace = 1.050698953929234 (7.01406e-11% change)
Finished solving for bands 1 to 5 after 32 iterations.
freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064
elapsed time for k point: 0.23823022842407227
solve_kpoint (0,0.3,0.3):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 1.088279540873554 (4.02105% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.078010312383157 (0.948094% change)
linmin: converged after 3 iterations.
iteration 3: trace = 1.076219990626864 (0.166215% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.075124540387689 (0.101839% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.07488881031914 (0.0219282% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.074611210358773 (0.0258293% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.074337620664562 (0.0254627% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.07413313855772 (0.0190351% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.074051063054056 (0.00764138% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.074029420989965 (0.00201501% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.074020142121589 (0.000863934% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.074016815860834 (0.000309702% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.074015086574427 (0.000161011% change)
linmin: converged after 6 iterations.
iteration 14: trace = 1.074014221795601 (8.05183e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.074013421483326 (7.4516e-05% change)
large trace change predicted (0.000149807%)
linmin: converged after 5 iterations.
iteration 16: trace = 1.074011812469476 (0.000149813% change)
large trace change predicted (0.000490882%)
linmin: converged after 10 iterations.
iteration 17: trace = 1.074006542454389 (0.000490686% change)
large trace change predicted (0.00906198%)
linmin: converged after 6 iterations.
iteration 18: trace = 1.073941701043524 (0.00603752% change)
large trace change predicted (0.0314784%)
linmin: converged after 12 iterations.
iteration 19: trace = 1.073871054644488 (0.00657845% change)
linmin: converged after 7 iterations.
iteration 20: trace = 1.073836865045437 (0.00318382% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.073810051812881 (0.00249699% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.073786930252984 (0.00215325% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.073765951855709 (0.0019537% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.073746099954997 (0.00184883% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.07372654968384 (0.00182077% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.07370665270057 (0.00185309% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.073686048065295 (0.00191904% change)
linmin: converged after 5 iterations.
iteration 28: trace = 1.073664807517757 (0.0019783% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.073643487597951 (0.00198573% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.073622933050627 (0.00191449% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.073603845346755 (0.00177789% change)
linmin: converged after 6 iterations.
iteration 32: trace = 1.073586422595537 (0.00162284% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.073570337616839 (0.00149826% change)
linmin: converged after 6 iterations.
iteration 34: trace = 1.073554964235346 (0.001432% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.07353962913353 (0.00142845% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.07352380058229 (0.00147444% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.07350721916049 (0.00154459% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.073489950025206 (0.00160868% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.073472300742344 (0.00164412% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.073454608133454 (0.00164818% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.073437013942841 (0.00163904% change)
linmin: converged after 4 iterations.
iteration 42: trace = 1.073419364058392 (0.00164425% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.073401253309573 (0.00168722% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.073382150317043 (0.00177969% change)
linmin: converged after 4 iterations.
iteration 45: trace = 1.07336154432539 (0.00191974% change)
linmin: converged after 4 iterations.
iteration 46: trace = 1.073339086928109 (0.00209227% change)
linmin: converged after 4 iterations.
iteration 47: trace = 1.073314699937172 (0.00227209% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.073288605942993 (0.00243119% change)
linmin: converged after 4 iterations.
iteration 49: trace = 1.073261255811686 (0.00254829% change)
linmin: converged after 4 iterations.
iteration 50: trace = 1.073233183714413 (0.00261562% change)
linmin: converged after 4 iterations.
iteration 51: trace = 1.073204865455954 (0.00263863% change)
linmin: converged after 4 iterations.
iteration 52: trace = 1.073176643673077 (0.00262971% change)
linmin: converged after 4 iterations.
iteration 53: trace = 1.073148730865096 (0.00260099% change)
linmin: converged after 4 iterations.
iteration 54: trace = 1.073121259315561 (0.00255993% change)
linmin: converged after 4 iterations.
iteration 55: trace = 1.07309433867515 (0.00250866% change)
linmin: converged after 5 iterations.
iteration 56: trace = 1.073068095131715 (0.00244563% change)
linmin: converged after 6 iterations.
iteration 57: trace = 1.073042683039002 (0.0023682% change)
linmin: converged after 4 iterations.
iteration 58: trace = 1.07301827264155 (0.0022749% change)
linmin: converged after 4 iterations.
iteration 59: trace = 1.072995024705294 (0.00216662% change)
linmin: converged after 4 iterations.
iteration 60: trace = 1.072973064582972 (0.00204664% change)
linmin: converged after 4 iterations.
iteration 61: trace = 1.072952465308809 (0.00191985% change)
linmin: converged after 4 iterations.
iteration 62: trace = 1.072933243744828 (0.00179148% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.072915368319464 (0.00166605% change)
linmin: converged after 4 iterations.
iteration 64: trace = 1.072898773564854 (0.00154671% change)
linmin: converged after 4 iterations.
iteration 65: trace = 1.072883375990663 (0.00143515% change)
linmin: converged after 6 iterations.
iteration 66: trace = 1.0728690870667 (0.00133183% change)
linmin: converged after 4 iterations.
iteration 67: trace = 1.072855821086758 (0.0012365% change)
linmin: converged after 5 iterations.
iteration 68: trace = 1.072843497615136 (0.00114867% change)
linmin: converged after 4 iterations.
iteration 69: trace = 1.072832039669942 (0.001068% change)
resetting CG direction...
large trace change predicted (0.0590982%)
linmin: converged after 3 iterations.
iteration 70: trace = 1.072198123213173 (0.0591056% change)
linmin: converged after 3 iterations.
iteration 71: trace = 1.071347118239733 (0.0794016% change)
linmin: converged after 5 iterations.
iteration 72: trace = 1.070541463028519 (0.0752285% change)
linmin: converged after 5 iterations.
iteration 73: trace = 1.069893830565265 (0.0605141% change)
linmin: converged after 4 iterations.
iteration 74: trace = 1.069675879075328 (0.0203734% change)
linmin: converged after 4 iterations.
iteration 75: trace = 1.069604565077048 (0.0066671% change)
linmin: converged after 4 iterations.
iteration 76: trace = 1.069582041223729 (0.00210583% change)
linmin: converged after 4 iterations.
iteration 77: trace = 1.069571765034444 (0.000960771% change)
linmin: converged after 3 iterations.
iteration 78: trace = 1.069569886835617 (0.000175603% change)
linmin: converged after 24 iterations.
iteration 79: trace = 1.06956893456843 (8.90328e-05% change)
linmin: converged after 4 iterations.
iteration 80: trace = 1.069568397381592 (5.02246e-05% change)
linmin: converged after 3 iterations.
iteration 81: trace = 1.069567984275286 (3.86237e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 1.069567784172026 (1.87088e-05% change)
linmin: converged after 10 iterations.
iteration 83: trace = 1.069567559606956 (2.09959e-05% change)
linmin: converged after 4 iterations.
iteration 84: trace = 1.06956739532616 (1.53596e-05% change)
linmin: converged after 3 iterations.
iteration 85: trace = 1.069567279689921 (1.08115e-05% change)
linmin: converged after 7 iterations.
iteration 86: trace = 1.069567202427575 (7.2237e-06% change)
linmin: converged after 13 iterations.
iteration 87: trace = 1.069567123735572 (7.35737e-06% change)
linmin: converged after 4 iterations.
iteration 88: trace = 1.069566990372406 (1.24689e-05% change)
linmin: converged after 4 iterations.
iteration 89: trace = 1.069566806435123 (1.71974e-05% change)
linmin: converged after 18 iterations.
iteration 90: trace = 1.069566611505561 (1.82251e-05% change)
linmin: converged after 3 iterations.
iteration 91: trace = 1.069566258368391 (3.30169e-05% change)
linmin: converged after 3 iterations.
iteration 92: trace = 1.069565649811474 (5.68976e-05% change)
large trace change predicted (0.000165074%)
linmin: converged after 4 iterations.
iteration 93: trace = 1.069563887345637 (0.000164783% change)
large trace change predicted (0.000584339%)
linmin: converged after 6 iterations.
iteration 94: trace = 1.069557815178935 (0.000567725% change)
large trace change predicted (0.00612923%)
linmin: converged after 7 iterations.
iteration 95: trace = 1.069531840301829 (0.00242859% change)
linmin: converged after 7 iterations.
iteration 96: trace = 1.06951158152307 (0.00189419% change)
linmin: converged after 7 iterations.
iteration 97: trace = 1.06949650195719 (0.00140996% change)
linmin: converged after 7 iterations.
iteration 98: trace = 1.069483719262493 (0.00119521% change)
linmin: converged after 6 iterations.
iteration 99: trace = 1.069471280069923 (0.00116311% change)
linmin: converged after 5 iterations.
iteration 100: trace = 1.069459236278697 (0.00112615% change)
linmin: converged after 6 iterations.
iteration 101: trace = 1.069448853527677 (0.000970846% change)
linmin: converged after 9 iterations.
iteration 102: trace = 1.069440425309504 (0.000788093% change)
linmin: converged after 6 iterations.
iteration 103: trace = 1.069433418690631 (0.000655169% change)
linmin: converged after 7 iterations.
iteration 104: trace = 1.069427354305229 (0.000567067% change)
linmin: converged after 7 iterations.
iteration 105: trace = 1.069421994829825 (0.000501155% change)
linmin: converged after 7 iterations.
iteration 106: trace = 1.06941724042802 (0.000444578% change)
linmin: converged after 5 iterations.
iteration 107: trace = 1.069413025117769 (0.00039417% change)
linmin: converged after 5 iterations.
iteration 108: trace = 1.069409275547888 (0.00035062% change)
linmin: converged after 8 iterations.
iteration 109: trace = 1.069405911972547 (0.000314527% change)
linmin: converged after 6 iterations.
iteration 110: trace = 1.069402860891335 (0.000285307% change)
linmin: converged after 5 iterations.
iteration 111: trace = 1.069400062375236 (0.00026169% change)
linmin: converged after 7 iterations.
iteration 112: trace = 1.069397472713876 (0.00024216% change)
linmin: converged after 6 iterations.
iteration 113: trace = 1.069395060383547 (0.000225579% change)
linmin: converged after 9 iterations.
iteration 114: trace = 1.069392801032389 (0.000211274% change)
linmin: converged after 8 iterations.
iteration 115: trace = 1.069390673738402 (0.000198926% change)
linmin: converged after 6 iterations.
iteration 116: trace = 1.069388657714768 (0.000188521% change)
linmin: converged after 6 iterations.
iteration 117: trace = 1.069386731644227 (0.00018011% change)
linmin: converged after 5 iterations.
iteration 118: trace = 1.069384873730894 (0.000173736% change)
linmin: converged after 5 iterations.
iteration 119: trace = 1.069383062883039 (0.000169336% change)
linmin: converged after 10 iterations.
iteration 120: trace = 1.069381280066676 (0.000166715% change)
linmin: converged after 7 iterations.
iteration 121: trace = 1.069379509487148 (0.000165571% change)
linmin: converged after 8 iterations.
iteration 122: trace = 1.069377739525456 (0.000165513% change)
linmin: converged after 6 iterations.
iteration 123: trace = 1.069375963507896 (0.00016608% change)
linmin: converged after 10 iterations.
iteration 124: trace = 1.069374179731154 (0.000166806% change)
linmin: converged after 5 iterations.
iteration 125: trace = 1.069372391031961 (0.000167266% change)
linmin: converged after 7 iterations.
iteration 126: trace = 1.069370603907787 (0.000167119% change)
linmin: converged after 10 iterations.
iteration 127: trace = 1.069368827217261 (0.000166144% change)
linmin: converged after 5 iterations.
iteration 128: trace = 1.069367070674866 (0.00016426% change)
linmin: converged after 6 iterations.
iteration 129: trace = 1.069365343459912 (0.000161518% change)
linmin: converged after 6 iterations.
iteration 130: trace = 1.069363653232463 (0.000158059% change)
linmin: converged after 6 iterations.
iteration 131: trace = 1.06936200548704 (0.000154087% change)
linmin: converged after 7 iterations.
iteration 132: trace = 1.069360403300531 (0.000149827% change)
linmin: converged after 14 iterations.
iteration 133: trace = 1.069358847548523 (0.000145484% change)
linmin: converged after 6 iterations.
iteration 134: trace = 1.069357337356084 (0.000141224% change)
linmin: converged after 7 iterations.
iteration 135: trace = 1.069355870473734 (0.000137174% change)
linmin: converged after 6 iterations.
iteration 136: trace = 1.069354443947797 (0.000133401% change)
linmin: converged after 8 iterations.
iteration 137: trace = 1.069353054482242 (0.000129935% change)
linmin: converged after 5 iterations.
iteration 138: trace = 1.069351698944842 (0.000126762% change)
linmin: converged after 8 iterations.
iteration 139: trace = 1.069350374574078 (0.000123848% change)
resetting CG direction...
large trace change predicted (0.014546%)
linmin: converged after 4 iterations.
iteration 140: trace = 1.069194674078868 (0.0145613% change)
linmin: converged after 3 iterations.
iteration 141: trace = 1.069117229618983 (0.00724351% change)
linmin: converged after 3 iterations.
iteration 142: trace = 1.069075435411627 (0.0039093% change)
linmin: converged after 4 iterations.
iteration 143: trace = 1.069028118000609 (0.00442611% change)
linmin: converged after 5 iterations.
iteration 144: trace = 1.068963764327453 (0.00602001% change)
linmin: converged after 5 iterations.
iteration 145: trace = 1.068914031982284 (0.0046525% change)
linmin: converged after 7 iterations.
iteration 146: trace = 1.06885669529657 (0.00536416% change)
linmin: converged after 6 iterations.
iteration 147: trace = 1.068800655539407 (0.0052431% change)
linmin: converged after 3 iterations.
iteration 148: trace = 1.068757373421296 (0.00404968% change)
linmin: converged after 5 iterations.
iteration 149: trace = 1.06871741940429 (0.00373843% change)
linmin: converged after 9 iterations.
iteration 150: trace = 1.068678935993993 (0.00360096% change)
linmin: converged after 6 iterations.
iteration 151: trace = 1.068654694120156 (0.00226842% change)
linmin: converged after 5 iterations.
iteration 152: trace = 1.068642743934376 (0.00111825% change)
linmin: converged after 5 iterations.
iteration 153: trace = 1.068637179155169 (0.000520735% change)
linmin: converged after 8 iterations.
iteration 154: trace = 1.068633795993423 (0.000316587% change)
linmin: converged after 8 iterations.
iteration 155: trace = 1.068631062838858 (0.000255762% change)
linmin: converged after 5 iterations.
iteration 156: trace = 1.06862861063566 (0.000229472% change)
linmin: converged after 7 iterations.
iteration 157: trace = 1.068627264826065 (0.000125938% change)
linmin: converged after 5 iterations.
iteration 158: trace = 1.068626757620196 (4.74633e-05% change)
linmin: converged after 4 iterations.
iteration 159: trace = 1.068626630711401 (1.18759e-05% change)
linmin: converged after 4 iterations.
iteration 160: trace = 1.068626598200819 (3.04228e-06% change)
linmin: converged after 8 iterations.
iteration 161: trace = 1.068626583537483 (1.37217e-06% change)
linmin: converged after 4 iterations.
iteration 162: trace = 1.068626572382386 (1.04387e-06% change)
linmin: converged after 3 iterations.
iteration 163: trace = 1.068626562840985 (8.92866e-07% change)
linmin: converged after 7 iterations.
iteration 164: trace = 1.068626555549581 (6.82315e-07% change)
linmin: converged after 15 iterations.
iteration 165: trace = 1.068626551021941 (4.23688e-07% change)
linmin: converged after 4 iterations.
iteration 166: trace = 1.06862654726605 (3.51469e-07% change)
linmin: converged after 4 iterations.
iteration 167: trace = 1.068626545007675 (2.11334e-07% change)
linmin: converged after 9 iterations.
iteration 168: trace = 1.068626543631622 (1.28768e-07% change)
linmin: converged after 5 iterations.
iteration 169: trace = 1.068626542457055 (1.09914e-07% change)
linmin: converged after 4 iterations.
iteration 170: trace = 1.068626540775745 (1.57334e-07% change)
large trace change predicted (3.15175e-07%)
linmin: converged after 7 iterations.
iteration 171: trace = 1.068626537407016 (3.15239e-07% change)
linmin: converged after 4 iterations.
iteration 172: trace = 1.068626533723195 (3.44725e-07% change)
linmin: converged after 21 iterations.
iteration 173: trace = 1.068626531663351 (1.92756e-07% change)
linmin: converged after 12 iterations.
iteration 174: trace = 1.068626530817167 (7.91843e-08% change)
linmin: converged after 12 iterations.
iteration 175: trace = 1.068626530497293 (2.99332e-08% change)
linmin: converged after 7 iterations.
iteration 176: trace = 1.068626530333551 (1.53227e-08% change)
linmin: converged after 4 iterations.
iteration 177: trace = 1.068626530258664 (7.00774e-09% change)
linmin: converged after 6 iterations.
iteration 178: trace = 1.068626530162968 (8.95508e-09% change)
large trace change predicted (2.12929e-08%)
linmin: converged after 4 iterations.
iteration 179: trace = 1.068626529935186 (2.13153e-08% change)
linmin: converged after 8 iterations.
iteration 180: trace = 1.06862652955323 (3.57428e-08% change)
linmin: converged after 5 iterations.
iteration 181: trace = 1.068626528973315 (5.42673e-08% change)
linmin: converged after 4 iterations.
iteration 182: trace = 1.068626528427385 (5.10871e-08% change)
linmin: converged after 5 iterations.
iteration 183: trace = 1.06862652772693 (6.55472e-08% change)
linmin: converged after 5 iterations.
iteration 184: trace = 1.06862652690388 (7.70194e-08% change)
linmin: converged after 3 iterations.
iteration 185: trace = 1.068626526189199 (6.68785e-08% change)
linmin: converged after 4 iterations.
iteration 186: trace = 1.068626525702382 (4.55554e-08% change)
linmin: converged after 9 iterations.
iteration 187: trace = 1.068626525445897 (2.40013e-08% change)
linmin: converged after 3 iterations.
iteration 188: trace = 1.068626525378705 (6.28772e-09% change)
linmin: converged after 4 iterations.
iteration 189: trace = 1.068626525351078 (2.58526e-09% change)
linmin: converged after 3 iterations.
iteration 190: trace = 1.06862652533912 (1.11901e-09% change)
linmin: converged after 3 iterations.
iteration 191: trace = 1.068626525324242 (1.39231e-09% change)
linmin: converged after 3 iterations.
iteration 192: trace = 1.068626525309263 (1.4017e-09% change)
linmin: converged after 4 iterations.
iteration 193: trace = 1.068626525303099 (5.7679e-10% change)
linmin: converged after 4 iterations.
iteration 194: trace = 1.068626525300159 (2.7517e-10% change)
linmin: converged after 5 iterations.
iteration 195: trace = 1.068626525298999 (1.08505e-10% change)
linmin: converged after 3 iterations.
iteration 196: trace = 1.068626525298606 (3.68195e-11% change)
Finished solving for bands 1 to 5 after 196 iterations.
freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915
elapsed time for k point: 1.4351816177368164
solve_kpoint (0,0.4,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.09676373046218 (4.83164% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.082691277589466 (1.29137% change)
linmin: converged after 3 iterations.
iteration 3: trace = 1.079957260528795 (0.25284% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.07764773731734 (0.214082% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.076735253705281 (0.0847095% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.075213699012749 (0.141412% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.074492218765974 (0.0671236% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.074213739467549 (0.0259207% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.074138188251446 (0.00703341% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.074123932232067 (0.00132721% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.074120393735298 (0.000329432% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.074119608461603 (7.31086e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.074119350205694 (2.40435e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.074119193446577 (1.45942e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.074119086979259 (9.91206e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.07411899846238 (8.24088e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.074118951624113 (4.36062e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.074118930569966 (1.96013e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.074118922703944 (7.32323e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.074118920440504 (2.10725e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.074118919553628 (8.25677e-08% change)
linmin: converged after 20 iterations.
iteration 22: trace = 1.074118918883232 (6.24136e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.074118918125842 (7.05127e-08% change)
linmin: converged after 24 iterations.
iteration 24: trace = 1.074118917274336 (7.92748e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.074118916478545 (7.40878e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.074118915076856 (1.30497e-07% change)
large trace change predicted (3.47216e-07%)
linmin: converged after 2 iterations.
iteration 27: trace = 1.074118911347338 (3.47216e-07% change)
large trace change predicted (1.06055e-06%)
linmin: converged after 2 iterations.
iteration 28: trace = 1.074118899955731 (1.06055e-06% change)
large trace change predicted (3.74552e-06%)
linmin: converged after 4 iterations.
iteration 29: trace = 1.074118859726342 (3.74534e-06% change)
large trace change predicted (2.30294e-05%)
linmin: converged after 6 iterations.
iteration 30: trace = 1.074118613396065 (2.29332e-05% change)
near maximum in trace
linmin: converged after 14 iterations.
iteration 31: trace = 1.074108656646908 (0.000926974% change)
linmin: converged after 7 iterations.
iteration 32: trace = 1.074107966624208 (6.42414e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.074107274939571 (6.43962e-05% change)
linmin: converged after 6 iterations.
iteration 34: trace = 1.074106574379339 (6.52226e-05% change)
linmin: converged after 7 iterations.
iteration 35: trace = 1.074105856059128 (6.68761e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.074105113322936 (6.91493e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 1.074104343007871 (7.17169e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 1.074103545951054 (7.42067e-05% change)
linmin: converged after 6 iterations.
iteration 39: trace = 1.07410272682279 (7.62616e-05% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.074101893138382 (7.76169e-05% change)
linmin: converged after 6 iterations.
iteration 41: trace = 1.074101053725188 (7.81503e-05% change)
linmin: converged after 7 iterations.
iteration 42: trace = 1.074100217337326 (7.78687e-05% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.074099391966481 (7.6843e-05% change)
linmin: converged after 6 iterations.
iteration 44: trace = 1.074098584810139 (7.51473e-05% change)
linmin: converged after 6 iterations.
iteration 45: trace = 1.074097802433133 (7.28404e-05% change)
linmin: converged after 5 iterations.
iteration 46: trace = 1.074097050705479 (6.99869e-05% change)
linmin: converged after 6 iterations.
iteration 47: trace = 1.074096334430325 (6.66863e-05% change)
linmin: converged after 5 iterations.
iteration 48: trace = 1.07409565686185 (6.30827e-05% change)
linmin: converged after 7 iterations.
iteration 49: trace = 1.074095019383428 (5.93503e-05% change)
linmin: converged after 5 iterations.
iteration 50: trace = 1.07409442149858 (5.56641e-05% change)
linmin: converged after 7 iterations.
iteration 51: trace = 1.074093861118876 (5.21723e-05% change)
linmin: converged after 8 iterations.
iteration 52: trace = 1.074093335024875 (4.89803e-05% change)
linmin: converged after 9 iterations.
iteration 53: trace = 1.07409283939711 (4.61438e-05% change)
linmin: converged after 6 iterations.
iteration 54: trace = 1.074092370113571 (4.36912e-05% change)
linmin: converged after 9 iterations.
iteration 55: trace = 1.074091923256406 (4.16032e-05% change)
linmin: converged after 6 iterations.
iteration 56: trace = 1.074091495242604 (3.98489e-05% change)
linmin: converged after 9 iterations.
iteration 57: trace = 1.074091082941412 (3.8386e-05% change)
linmin: converged after 5 iterations.
iteration 58: trace = 1.074090683728918 (3.71675e-05% change)
linmin: converged after 5 iterations.
iteration 59: trace = 1.074090295505451 (3.61444e-05% change)
linmin: converged after 5 iterations.
iteration 60: trace = 1.074089916681102 (3.52693e-05% change)
linmin: converged after 6 iterations.
iteration 61: trace = 1.074089546094833 (3.45024e-05% change)
linmin: converged after 6 iterations.
iteration 62: trace = 1.074089182963636 (3.38083e-05% change)
linmin: converged after 6 iterations.
iteration 63: trace = 1.074088826791051 (3.31604e-05% change)
linmin: converged after 6 iterations.
iteration 64: trace = 1.074088477312062 (3.25373e-05% change)
linmin: converged after 3 iterations.
iteration 65: trace = 1.074088134417222 (3.19243e-05% change)
linmin: converged after 6 iterations.
iteration 66: trace = 1.07408779808815 (3.1313e-05% change)
linmin: converged after 6 iterations.
iteration 67: trace = 1.074087468362276 (3.06982e-05% change)
linmin: converged after 5 iterations.
iteration 68: trace = 1.074087145274952 (3.00802e-05% change)
linmin: converged after 5 iterations.
iteration 69: trace = 1.074086828846009 (2.94603e-05% change)
resetting CG direction...
large trace change predicted (0.00552372%)
linmin: converged after 5 iterations.
iteration 70: trace = 1.074027493717414 (0.00552439% change)
linmin: converged after 5 iterations.
iteration 71: trace = 1.07398995781575 (0.00349493% change)
linmin: converged after 5 iterations.
iteration 72: trace = 1.073965807916534 (0.00224864% change)
linmin: converged after 8 iterations.
iteration 73: trace = 1.073953302254915 (0.00116444% change)
linmin: converged after 4 iterations.
iteration 74: trace = 1.073950631525306 (0.000248682% change)
linmin: converged after 3 iterations.
iteration 75: trace = 1.073949453542193 (0.000109687% change)
linmin: converged after 6 iterations.
iteration 76: trace = 1.073948843714901 (5.67836e-05% change)
linmin: converged after 21 iterations.
iteration 77: trace = 1.073948012424094 (7.74051e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 1.073947355572637 (6.11623e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 1.073947066424464 (2.69239e-05% change)
linmin: converged after 3 iterations.
iteration 80: trace = 1.073946952225013 (1.06336e-05% change)
linmin: converged after 2 iterations.
iteration 81: trace = 1.073946905475717 (4.35304e-06% change)
linmin: converged after 3 iterations.
iteration 82: trace = 1.073946876259188 (2.72048e-06% change)
linmin: converged after 4 iterations.
iteration 83: trace = 1.073946859382544 (1.57146e-06% change)
linmin: converged after 4 iterations.
iteration 84: trace = 1.073946850788527 (8.00227e-07% change)
linmin: converged after 6 iterations.
iteration 85: trace = 1.073946846427495 (4.06075e-07% change)
linmin: converged after 25 iterations.
iteration 86: trace = 1.073946843003072 (3.18863e-07% change)
linmin: converged after 4 iterations.
iteration 87: trace = 1.073946839409046 (3.34656e-07% change)
large trace change predicted (7.27062e-07%)
linmin: converged after 3 iterations.
iteration 88: trace = 1.073946831600816 (7.27059e-07% change)
large trace change predicted (1.48103e-06%)
linmin: converged after 4 iterations.
iteration 89: trace = 1.073946815695358 (1.48103e-06% change)
large trace change predicted (4.37951e-06%)
linmin: converged after 5 iterations.
iteration 90: trace = 1.073946768662516 (4.37944e-06% change)
linmin: converged after 6 iterations.
iteration 91: trace = 1.073946679821678 (8.27237e-06% change)
linmin: converged after 7 iterations.
iteration 92: trace = 1.073946529008632 (1.40429e-05% change)
linmin: converged after 5 iterations.
iteration 93: trace = 1.07394636530593 (1.52431e-05% change)
linmin: converged after 4 iterations.
iteration 94: trace = 1.073946255251097 (1.02477e-05% change)
linmin: converged after 3 iterations.
iteration 95: trace = 1.073946149707093 (9.82768e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 1.073946053608511 (8.94818e-06% change)
linmin: converged after 6 iterations.
iteration 97: trace = 1.073945952647669 (9.40092e-06% change)
linmin: converged after 9 iterations.
iteration 98: trace = 1.073945869385615 (7.75291e-06% change)
linmin: converged after 4 iterations.
iteration 99: trace = 1.073945843503251 (2.41003e-06% change)
linmin: converged after 4 iterations.
iteration 100: trace = 1.0739458373822 (5.69959e-07% change)
linmin: converged after 4 iterations.
iteration 101: trace = 1.073945836401789 (9.12906e-08% change)
linmin: converged after 6 iterations.
iteration 102: trace = 1.073945836058058 (3.20064e-08% change)
linmin: converged after 5 iterations.
iteration 103: trace = 1.073945835877834 (1.67814e-08% change)
linmin: converged after 21 iterations.
iteration 104: trace = 1.073945835763812 (1.06171e-08% change)
linmin: converged after 7 iterations.
iteration 105: trace = 1.073945835716336 (4.42069e-09% change)
linmin: converged after 10 iterations.
iteration 106: trace = 1.073945835701665 (1.36606e-09% change)
linmin: converged after 3 iterations.
iteration 107: trace = 1.073945835696708 (4.61624e-10% change)
linmin: converged after 4 iterations.
iteration 108: trace = 1.073945835694309 (2.23296e-10% change)
linmin: converged after 13 iterations.
iteration 109: trace = 1.073945835692663 (1.5333e-10% change)
linmin: converged after 3 iterations.
iteration 110: trace = 1.073945835691533 (1.05239e-10% change)
linmin: converged after 3 iterations.
iteration 111: trace = 1.073945835690725 (7.52385e-11% change)
Finished solving for bands 1 to 5 after 111 iterations.
freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786
elapsed time for k point: 0.8135883808135986
solve_kpoint (0,0.5,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.093863489470061 (5.33662% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.078476777688544 (1.4166% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.076328697155982 (0.199376% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.075208255595951 (0.104153% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.07503517157428 (0.016099% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.074955695782235 (0.00739313% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.074896058833362 (0.00554801% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.074864563428873 (0.00293013% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.074852338404324 (0.00113736% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.074850012942938 (0.000216352% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.074849426029419 (5.46042e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.074849271410158 (1.43852e-05% change)
linmin: converged after 9 iterations.
iteration 13: trace = 1.074849229292721 (3.91845e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.074849215166149 (1.31428e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.074849211829465 (3.10433e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.074849210719722 (1.03246e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.074849209946279 (7.19582e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.074849209005695 (8.75085e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.074849207760994 (1.15802e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.074849206703752 (9.83619e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.074849205562663 (1.06163e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.074849203559148 (1.864e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.074849200235667 (3.09204e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.074849195274801 (4.61541e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.074849189777705 (5.11429e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.074849181222386 (7.95955e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.074849167022692 (1.32109e-06% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.074849153566981 (1.25187e-06% change)
linmin: converged after 16 iterations.
iteration 29: trace = 1.074849145742549 (7.27956e-07% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.074849142292259 (3.21002e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.074849140247105 (1.90274e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.07484913871434 (1.42603e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.074849137906281 (7.51787e-08% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.074849137608582 (2.76969e-08% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.074849137533784 (6.9589e-09% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.074849137516846 (1.57591e-09% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.074849137512896 (3.67489e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 1.074849137511864 (9.60194e-11% change)
Finished solving for bands 1 to 5 after 38 iterations.
freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208
elapsed time for k point: 0.2810788154602051
solve_kpoint (0.05,0.55,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.078756946581757 (0.894499% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.075235337821099 (0.326984% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.073638839416679 (0.148589% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.073077825185615 (0.0522672% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.072780827427175 (0.027681% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.072586993276598 (0.01807% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.072447691945423 (0.0129883% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.07239326667108 (0.00507499% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.07236325167962 (0.00279892% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.072354631902956 (0.000803814% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.072350311724843 (0.000402869% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.072348215271241 (0.000195501% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.072347360434731 (7.97163e-05% change)
linmin: converged after 6 iterations.
iteration 14: trace = 1.072346902122047 (4.27392e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.072346623483659 (2.5984e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.072346159275199 (4.3289e-05% change)
large trace change predicted (0.000101681%)
linmin: converged after 5 iterations.
iteration 17: trace = 1.072345068890038 (0.000101682% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.072342995658238 (0.000193336% change)
linmin: converged after 6 iterations.
iteration 19: trace = 1.072339903829155 (0.000288325% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.072336586509769 (0.000309354% change)
linmin: converged after 7 iterations.
iteration 21: trace = 1.072331067849422 (0.00051464% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.07232082224701 (0.000955456% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.072308842030553 (0.00111723% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.072300271286768 (0.000799283% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.072297170565835 (0.000289166% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.072296311606893 (8.01046e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.072296078653345 (2.17247e-05% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.072296014168777 (6.01369e-06% change)
linmin: converged after 24 iterations.
iteration 29: trace = 1.072295982383621 (2.96421e-06% change)
linmin: converged after 15 iterations.
iteration 30: trace = 1.072295961925376 (1.90789e-06% change)
linmin: converged after 7 iterations.
iteration 31: trace = 1.072295950654601 (1.05109e-06% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.072295945180989 (5.10457e-07% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.072295942506052 (2.49459e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.072295940839705 (1.554e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.072295940001716 (7.8149e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.072295939666597 (3.12525e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.072295939534582 (1.23115e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 1.072295939489791 (4.17712e-09% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.072295939475879 (1.29736e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.072295939471375 (4.2005e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.072295939468839 (2.36479e-10% change)
linmin: converged after 2 iterations.
iteration 42: trace = 1.072295939464564 (3.987e-10% change)
large trace change predicted (1.11332e-09%)
linmin: converged after 2 iterations.
iteration 43: trace = 1.072295939452623 (1.1136e-09% change)
large trace change predicted (2.51363e-09%)
linmin: converged after 2 iterations.
iteration 44: trace = 1.072295939425672 (2.5134e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 1.072295939386053 (3.69472e-09% change)
linmin: converged after 4 iterations.
iteration 46: trace = 1.072295939340153 (4.28055e-09% change)
linmin: converged after 2 iterations.
iteration 47: trace = 1.072295939279222 (5.68236e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 1.072295939194636 (7.88826e-09% change)
linmin: converged after 14 iterations.
iteration 49: trace = 1.072295939101619 (8.67454e-09% change)
linmin: converged after 3 iterations.
iteration 50: trace = 1.072295939034332 (6.27509e-09% change)
linmin: converged after 2 iterations.
iteration 51: trace = 1.072295939004893 (2.74541e-09% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.072295938995445 (8.81141e-10% change)
linmin: converged after 9 iterations.
iteration 53: trace = 1.072295938992633 (2.62197e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 1.072295938991753 (8.20841e-11% change)
Finished solving for bands 1 to 5 after 54 iterations.
freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972
elapsed time for k point: 0.39804744720458984
solve_kpoint (0.1,0.6,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.073401218506954 (0.802321% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.070911358186742 (0.232229% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.069941901356453 (0.0905673% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.069553512469482 (0.0363066% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.069331087282139 (0.0207982% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.069162619782136 (0.0157557% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.06905313998237 (0.0102403% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.069016273147659 (0.00344861% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.068993109651654 (0.00216683% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.068984047122717 (0.000847767% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.06897880030921 (0.000490824% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.068976671400316 (0.000199154% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.068976061675412 (5.70382e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.068975835503111 (2.11578e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.068975752616184 (7.75386e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.068975691300615 (5.73592e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.068975611585199 (7.45718e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 1.068975504394132 (1.00275e-05% change)
linmin: converged after 13 iterations.
iteration 19: trace = 1.068975371946158 (1.23902e-05% change)
linmin: converged after 15 iterations.
iteration 20: trace = 1.068975238400153 (1.24929e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.06897500900797 (2.14591e-05% change)
large trace change predicted (5.31033e-05%)
linmin: converged after 4 iterations.
iteration 22: trace = 1.06897444137869 (5.31003e-05% change)
large trace change predicted (0.000113315%)
linmin: converged after 3 iterations.
iteration 23: trace = 1.068973230351379 (0.000113289% change)
linmin: converged after 6 iterations.
iteration 24: trace = 1.06897161225228 (0.00015137% change)
linmin: converged after 6 iterations.
iteration 25: trace = 1.068970673722614 (8.77975e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 1.068970296062492 (3.53293e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.068970144206493 (1.42058e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.068970064617742 (7.44537e-06% change)
linmin: converged after 8 iterations.
iteration 29: trace = 1.068970000607836 (5.988e-06% change)
linmin: converged after 16 iterations.
iteration 30: trace = 1.068969962460986 (3.56856e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.068969945599901 (1.57732e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.068969938463749 (6.67573e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.068969934705131 (3.51611e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.068969932325581 (2.22602e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.068969931392087 (8.73265e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.068969931132231 (2.4309e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.068969931062231 (6.54836e-09% change)
linmin: converged after 2 iterations.
iteration 38: trace = 1.068969931043933 (1.71176e-09% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.068969931038534 (5.05088e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.06896993103669 (1.72489e-10% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.068969931035931 (7.09773e-11% change)
Finished solving for bands 1 to 5 after 41 iterations.
freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207
elapsed time for k point: 0.30283522605895996
solve_kpoint (0.15,0.65,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.07210087104172 (0.745891% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.069747625154363 (0.21974% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.068703623581534 (0.0976409% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.06787537155338 (0.0775307% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.067259421669873 (0.0576966% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.066744514113844 (0.0482574% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.066542840030842 (0.0189074% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.066494016835053 (0.00457781% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.066464593745213 (0.0027589% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.066451587651854 (0.00121956% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.066443672010177 (0.000742244% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.066440721230631 (0.000276694% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.066439849497521 (8.17423e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.066439375236251 (4.44715e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.066439009933316 (3.42545e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.066438547210227 (4.33896e-05% change)
linmin: converged after 14 iterations.
iteration 17: trace = 1.066438083387294 (4.34927e-05% change)
linmin: converged after 15 iterations.
iteration 18: trace = 1.066437660409854 (3.96626e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.066437091992715 (5.33006e-05% change)
linmin: converged after 6 iterations.
iteration 20: trace = 1.066436003254613 (0.000102091% change)
large trace change predicted (0.000276028%)
linmin: converged after 5 iterations.
iteration 21: trace = 1.06643306101055 (0.000275895% change)
linmin: converged after 3 iterations.
iteration 22: trace = 1.066427934770839 (0.000480691% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.06642432669396 (0.000338334% change)
linmin: converged after 13 iterations.
iteration 24: trace = 1.066422960619856 (0.000128099% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.066422499826517 (4.32093e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 1.066422186812465 (2.93518e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.06642189052926 (2.77829e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 1.066421685763602 (1.92012e-05% change)
linmin: converged after 15 iterations.
iteration 29: trace = 1.066421590549711 (8.92835e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.066421557709065 (3.07952e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.066421543618788 (1.32127e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.066421537040994 (6.1681e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.06642153395643 (2.89244e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.066421532545999 (1.32258e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.066421532098645 (4.19491e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.066421531981016 (1.10303e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.066421531947826 (3.11233e-09% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.066421531934552 (1.24475e-09% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.066421531923714 (1.01625e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.066421531913866 (9.23432e-10% change)
linmin: converged after 5 iterations.
iteration 41: trace = 1.066421531908594 (4.94427e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.066421531906733 (1.74505e-10% change)
linmin: converged after 6 iterations.
iteration 43: trace = 1.06642153190616 (5.37402e-11% change)
Finished solving for bands 1 to 5 after 43 iterations.
freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859
elapsed time for k point: 0.3203012943267822
solve_kpoint (0.2,0.7,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.069785773582439 (0.695776% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.067527570063895 (0.211312% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.066558947063649 (0.0907764% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.065685964046792 (0.0818839% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.065178396934747 (0.0476396% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.064838989620205 (0.031869% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.064736335048867 (0.00964085% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.064718062404295 (0.00171618% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.064709443693912 (0.000809486% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.064705784333718 (0.000343696% change)
linmin: converged after 6 iterations.
iteration 11: trace = 1.064703064045394 (0.000255497% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.064701652732799 (0.000132555% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.06470118218853 (4.4195e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.064700943603852 (2.24086e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.064700802693302 (1.32348e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.064700694078543 (1.02014e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.064700636606554 (5.39795e-06% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.064700617115639 (1.83065e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.064700610391738 (6.3153e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.064700607863227 (2.37486e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.064700605633887 (2.09387e-07% change)
large trace change predicted (4.79923e-07%)
linmin: converged after 2 iterations.
iteration 22: trace = 1.064700600524144 (4.79923e-07% change)
large trace change predicted (1.42414e-06%)
linmin: converged after 12 iterations.
iteration 23: trace = 1.064700585361344 (1.42414e-06% change)
large trace change predicted (2.9795e-06%)
linmin: converged after 3 iterations.
iteration 24: trace = 1.064700553639115 (2.97945e-06% change)
linmin: converged after 20 iterations.
iteration 25: trace = 1.06470052678614 (2.52212e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.064700508730731 (1.69582e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.064700490073184 (1.75238e-06% change)
linmin: converged after 24 iterations.
iteration 28: trace = 1.064700466708129 (2.19452e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.064700446691999 (1.87998e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.064700438159564 (8.01393e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.064700434712853 (3.23726e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.064700432935417 (1.66942e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.064700431874728 (9.96233e-08% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.064700431313315 (5.27297e-08% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.064700431122884 (1.78859e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.064700431069199 (5.04225e-09% change)
linmin: converged after 3 iterations.
iteration 37: trace = 1.064700431049591 (1.84159e-09% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.064700431037441 (1.14119e-09% change)
linmin: converged after 6 iterations.
iteration 39: trace = 1.064700431026596 (1.01859e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.064700431020414 (5.80648e-10% change)
linmin: converged after 6 iterations.
iteration 41: trace = 1.064700431018627 (1.67863e-10% change)
linmin: converged after 2 iterations.
iteration 42: trace = 1.064700431018219 (3.82692e-11% change)
Finished solving for bands 1 to 5 after 42 iterations.
freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019
elapsed time for k point: 0.31101226806640625
solve_kpoint (0.25,0.75,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.07102135025323 (0.625217% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.069008626705355 (0.188102% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.068158244968759 (0.0795803% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.067197593263683 (0.0899758% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.066544127991008 (0.0612506% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.065958659747478 (0.054909% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.065750318740433 (0.0195469% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.065675510628551 (0.00701954% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.065611170312027 (0.0060377% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.065570512593531 (0.00381551% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.065544557362741 (0.00243584% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.065536856806759 (0.00072269% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.065534821684941 (0.000190995% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.06553386588685 (8.97013e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.065533310006943 (5.21692e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 1.065532898639761 (3.86067e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 1.065532683273434 (2.02121e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.065532562793897 (1.1307e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.06553241194823 (1.41568e-05% change)
large trace change predicted (2.83328e-05%)
linmin: converged after 5 iterations.
iteration 20: trace = 1.065532110048137 (2.83333e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.065531537829716 (5.37026e-05% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.065530957301291 (5.44825e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.065530503251296 (4.26126e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.065529848637876 (6.14355e-05% change)
large trace change predicted (0.000173392%)
linmin: converged after 7 iterations.
iteration 25: trace = 1.065528002339836 (0.000173275% change)
large trace change predicted (0.000909711%)
linmin: converged after 4 iterations.
iteration 26: trace = 1.065518574727253 (0.000884787% change)
large trace change predicted (0.00393925%)
linmin: converged after 8 iterations.
iteration 27: trace = 1.065486645930534 (0.00299659% change)
linmin: converged after 7 iterations.
iteration 28: trace = 1.065452554312377 (0.00319968% change)
linmin: converged after 15 iterations.
iteration 29: trace = 1.065430694062877 (0.00205175% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.065419520873003 (0.00104871% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.065412511941131 (0.000657859% change)
linmin: converged after 4 iterations.
iteration 32: trace = 1.065407624927191 (0.000458698% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.065405106256101 (0.000236405% change)
linmin: converged after 4 iterations.
iteration 34: trace = 1.065404017239764 (0.000102216% change)
linmin: converged after 7 iterations.
iteration 35: trace = 1.065403611191079 (3.81122e-05% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.065403441828039 (1.58966e-05% change)
linmin: converged after 3 iterations.
iteration 37: trace = 1.065403323931502 (1.10659e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.065403209114892 (1.07768e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.065403107364856 (9.55038e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 1.065403054387149 (4.97255e-06% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.065403036014426 (1.72449e-06% change)
linmin: converged after 6 iterations.
iteration 42: trace = 1.065403029074995 (6.51343e-07% change)
linmin: converged after 2 iterations.
iteration 43: trace = 1.065403024643697 (4.15927e-07% change)
linmin: converged after 2 iterations.
iteration 44: trace = 1.065403021191505 (3.24027e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.065403018975985 (2.07951e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 1.065403018005738 (9.10685e-08% change)
linmin: converged after 3 iterations.
iteration 47: trace = 1.065403017543515 (4.33848e-08% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.065403017076432 (4.3841e-08% change)
large trace change predicted (8.98844e-08%)
linmin: converged after 2 iterations.
iteration 49: trace = 1.065403016118797 (8.98848e-08% change)
large trace change predicted (2.34693e-07%)
linmin: converged after 2 iterations.
iteration 50: trace = 1.065403013618366 (2.34693e-07% change)
large trace change predicted (5.60917e-07%)
linmin: converged after 3 iterations.
iteration 51: trace = 1.065403007642306 (5.6092e-07% change)
linmin: converged after 17 iterations.
iteration 52: trace = 1.065402998322922 (8.74729e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 1.065402986266862 (1.1316e-06% change)
linmin: converged after 3 iterations.
iteration 54: trace = 1.065402969178449 (1.60394e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 1.065402943674205 (2.39386e-06% change)
linmin: converged after 4 iterations.
iteration 56: trace = 1.065402909801809 (3.1793e-06% change)
linmin: converged after 4 iterations.
iteration 57: trace = 1.0654028805448 (2.7461e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 1.065402867306225 (1.24259e-06% change)
linmin: converged after 4 iterations.
iteration 59: trace = 1.065402862588771 (4.42786e-07% change)
linmin: converged after 3 iterations.
iteration 60: trace = 1.065402860542757 (1.92041e-07% change)
linmin: converged after 2 iterations.
iteration 61: trace = 1.065402859235994 (1.22654e-07% change)
linmin: converged after 2 iterations.
iteration 62: trace = 1.065402858140702 (1.02805e-07% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.065402857385879 (7.08485e-08% change)
linmin: converged after 2 iterations.
iteration 64: trace = 1.065402857037139 (3.27332e-08% change)
linmin: converged after 4 iterations.
iteration 65: trace = 1.065402856879915 (1.47573e-08% change)
linmin: converged after 12 iterations.
iteration 66: trace = 1.065402856783426 (9.05656e-09% change)
linmin: converged after 4 iterations.
iteration 67: trace = 1.06540285669882 (7.94121e-09% change)
linmin: converged after 2 iterations.
iteration 68: trace = 1.065402856628581 (6.59277e-09% change)
linmin: converged after 5 iterations.
iteration 69: trace = 1.065402856591345 (3.49495e-09% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 1.065402856578412 (1.21395e-09% change)
linmin: converged after 2 iterations.
iteration 71: trace = 1.065402856572634 (5.42293e-10% change)
linmin: converged after 3 iterations.
iteration 72: trace = 1.065402856570871 (1.65481e-10% change)
linmin: converged after 2 iterations.
iteration 73: trace = 1.065402856570094 (7.29448e-11% change)
Finished solving for bands 1 to 5 after 73 iterations.
freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056
elapsed time for k point: 0.5364253520965576
solve_kpoint (0.275,0.75,0.475):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.065652986634801 (0.504169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.063445114738671 (0.2074% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.062314064658214 (0.106414% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.060800078337779 (0.142619% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.059864885140574 (0.0881981% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.058934077527141 (0.0878618% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.058590167425031 (0.0324823% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.058340293631423 (0.0236072% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.058044369944337 (0.027965% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.057844196498605 (0.018921% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.057733299053829 (0.0104839% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.05768688610645 (0.00438806% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.057643718296448 (0.00408142% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.057601094515691 (0.00403015% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.057574169318424 (0.00254591% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.057560843562136 (0.00126004% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.057554897779985 (0.000562218% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.057550493140094 (0.000416494% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.0575476220046 (0.00027149% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.057546213280055 (0.000133207% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.057545647266149 (5.35214e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.057545445060972 (1.91202e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.05754534645965 (9.3236e-06% change)
linmin: converged after 16 iterations.
iteration 24: trace = 1.057545294682108 (4.89601e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.057545271741688 (2.16921e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.057545262910941 (8.35023e-07% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.057545260634137 (2.15291e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.057545259834002 (7.56597e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.057545259398525 (4.11781e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.05754525910819 (2.74536e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.057545258933646 (1.65047e-08% change)
linmin: converged after 4 iterations.
iteration 32: trace = 1.057545258873737 (5.66485e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.057545258854841 (1.78684e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.057545258846103 (8.26181e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.057545258839637 (6.11473e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.057545258833266 (6.02382e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.05754525882868 (4.33677e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.0575452588261 (2.43934e-10% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.057545258824424 (1.58501e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.05754525882298 (1.36559e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.057545258821918 (1.00446e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.057545258821419 (4.71365e-11% change)
Finished solving for bands 1 to 5 after 42 iterations.
freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199
elapsed time for k point: 0.313706636428833
solve_kpoint (0.3,0.75,0.45):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.051264386853347 (0.453577% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.049735266940344 (0.145561% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.049264550979229 (0.0448515% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.048963507822213 (0.028695% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.048842772219768 (0.0115107% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.048772455329971 (0.00670446% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.048748914239769 (0.00224466% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.048744582091003 (0.000413079% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.048741973701245 (0.000248716% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.048740250692929 (0.000164293% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.048738772995067 (0.000140902% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.048738138397404 (6.05106e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.048737951057083 (1.78634e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.048737879547407 (6.81864e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.048737847303642 (3.07453e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.048737823461936 (2.27337e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.048737805857724 (1.67861e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.048737790475252 (1.46676e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 1.048737774176588 (1.55412e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 1.048737760567202 (1.29769e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.04873775188753 (8.2763e-07% change)
linmin: converged after 3 iterations.
iteration 22: trace = 1.048737748311007 (3.41031e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.048737746988585 (1.26097e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.04873774641459 (5.4732e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.048737746162668 (2.40215e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.048737746020623 (1.35444e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.048737745965866 (5.22115e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.048737745951454 (1.37423e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.048737745947921 (3.36877e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.048737745947218 (6.70535e-11% change)
Finished solving for bands 1 to 5 after 30 iterations.
freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052
elapsed time for k point: 0.22289752960205078
solve_kpoint (0.325,0.75,0.425):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.043730320367076 (0.402906% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.042615065363816 (0.10691% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.042310395155777 (0.029226% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.042172278533015 (0.0132519% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.042115497545387 (0.00544848% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.042085473330465 (0.00288112% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.042070524368616 (0.00143453% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.042066548612395 (0.000381525% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.04206288704744 (0.000351376% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.042059736967639 (0.000302293% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.042056939339058 (0.000268471% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.042055775662505 (0.000111671% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.042055457699164 (3.05131e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.042055355980333 (9.76136e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.042055322293884 (3.23269e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.04205530254784 (1.89491e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.042055285398356 (1.64574e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.042055265630027 (1.89705e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.042055241138577 (2.3503e-06% change)
linmin: converged after 24 iterations.
iteration 20: trace = 1.042055220583108 (1.97259e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.042055207018138 (1.30175e-06% change)
linmin: converged after 3 iterations.
iteration 22: trace = 1.042055201090034 (5.68886e-07% change)
linmin: converged after 28 iterations.
iteration 23: trace = 1.042055199094496 (1.915e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.04205519837725 (6.88299e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.042055198125168 (2.41909e-08% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.042055197991547 (1.28228e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.042055197924895 (6.39625e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.04205519790092 (2.30075e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.042055197891545 (8.99638e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.042055197887335 (4.04006e-10% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.042055197884501 (2.71937e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.04205519788275 (1.6808e-10% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.042055197882125 (5.9919e-11% change)
Finished solving for bands 1 to 5 after 33 iterations.
freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391
elapsed time for k point: 0.24512934684753418
solve_kpoint (0.35,0.75,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.040583967142476 (0.367529% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.039722865444434 (0.082786% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.03950165624003 (0.021278% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.039430647296617 (0.00683129% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.039402550983523 (0.00270308% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.039389236782683 (0.00128096% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.039377840080219 (0.00109649% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.039372508607764 (0.00051295% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.039365669584023 (0.000657998% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.039358797682128 (0.000661165% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.039351522033653 (0.000700016% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.039347743030244 (0.000363593% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.039346603568429 (0.000109632% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.039346252826974 (3.37463e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.039346151663282 (9.7334e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.039346101166326 (4.85853e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.039346056762944 (4.27224e-06% change)
linmin: converged after 31 iterations.
iteration 18: trace = 1.039346002477097 (5.22308e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.039345931774661 (6.80259e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.039345863606865 (6.55872e-06% change)
linmin: converged after 14 iterations.
iteration 21: trace = 1.039345797360606 (6.37384e-06% change)
linmin: converged after 21 iterations.
iteration 22: trace = 1.039345749422763 (4.61231e-06% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.039345724079952 (2.43834e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.039345709972818 (1.35731e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 1.039345701605029 (8.05102e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.039345695151119 (6.20959e-07% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.039345691963401 (3.06704e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.039345690769051 (1.14914e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.039345690283833 (4.6685e-08% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.039345690103328 (1.73671e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.039345690033778 (6.69177e-09% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.039345690011562 (2.13744e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.039345690005514 (5.81888e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 1.039345690002439 (2.95911e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.039345689999085 (3.2268e-10% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.039345689993938 (4.95258e-10% change)
linmin: converged after 15 iterations.
iteration 37: trace = 1.039345689988247 (5.47556e-10% change)
linmin: converged after 5 iterations.
iteration 38: trace = 1.039345689985424 (2.71578e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.039345689984557 (8.34473e-11% change)
Finished solving for bands 1 to 5 after 39 iterations.
freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376
elapsed time for k point: 0.28920698165893555
solve_kpoint (0.375,0.75,0.375):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 1.042607161720726 (0.34652% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.041876242539784 (0.0701295% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.041689793083082 (0.0178971% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.041641147667703 (0.00466997% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.041621655682537 (0.00187129% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.041610029145236 (0.0011162% change)
large trace change predicted (0.0025014%)
linmin: converged after 6 iterations.
iteration 7: trace = 1.041583957214329 (0.00250307% change)
linmin: converged after 7 iterations.
iteration 8: trace = 1.041547309522134 (0.00351852% change)
large trace change predicted (0.00868818%)
linmin: converged after 4 iterations.
iteration 9: trace = 1.041457030683444 (0.00866814% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.041334060955939 (0.0118082% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.041164698683955 (0.0162653% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.041009772944854 (0.0148811% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.040930951209935 (0.00757195% change)
linmin: converged after 3 iterations.
iteration 14: trace = 1.040898073108036 (0.00315858% change)
linmin: converged after 3 iterations.
iteration 15: trace = 1.040888096987886 (0.000958419% change)
linmin: converged after 3 iterations.
iteration 16: trace = 1.040884173753795 (0.000376913% change)
linmin: converged after 3 iterations.
iteration 17: trace = 1.040881857294983 (0.000222547% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.040880129419306 (0.000166001% change)
linmin: converged after 6 iterations.
iteration 19: trace = 1.040878846929652 (0.000123212% change)
linmin: converged after 6 iterations.
iteration 20: trace = 1.040878282104791 (5.42642e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.040878051081422 (2.2195e-05% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.040877952535579 (9.46757e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.040877913823631 (3.71916e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.040877896748253 (1.64048e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.04087788840269 (8.01781e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.040877879210204 (8.83147e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.040877861806173 (1.67205e-06% change)
linmin: converged after 17 iterations.
iteration 28: trace = 1.040877831116783 (2.94841e-06% change)
linmin: converged after 9 iterations.
iteration 29: trace = 1.040877780705241 (4.84318e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.040877720799236 (5.75534e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.040877666373354 (5.22885e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.040877636834854 (2.83785e-06% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.040877628021553 (8.46718e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.040877624968494 (2.93316e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.04087762344881 (1.46e-07% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.040877622408118 (9.99822e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.040877621570122 (8.05085e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 1.040877621105957 (4.45937e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.040877620899647 (1.98207e-08% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.040877620810261 (8.58759e-09% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.04087762076838 (4.0236e-09% change)
linmin: converged after 4 iterations.
iteration 42: trace = 1.040877620742673 (2.46976e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 1.040877620722479 (1.94012e-09% change)
linmin: converged after 2 iterations.
iteration 44: trace = 1.040877620697877 (2.36357e-09% change)
linmin: converged after 4 iterations.
iteration 45: trace = 1.040877620655518 (4.0695e-09% change)
large trace change predicted (8.31677e-09%)
linmin: converged after 5 iterations.
iteration 46: trace = 1.04087762056895 (8.3169e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 1.040877620412684 (1.50129e-08% change)
linmin: converged after 6 iterations.
iteration 48: trace = 1.040877620260937 (1.45787e-08% change)
linmin: converged after 4 iterations.
iteration 49: trace = 1.040877620187645 (7.04135e-09% change)
linmin: converged after 4 iterations.
iteration 50: trace = 1.040877620163346 (2.33449e-09% change)
linmin: converged after 3 iterations.
iteration 51: trace = 1.040877620156023 (7.03523e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.040877620153321 (2.59616e-10% change)
linmin: converged after 3 iterations.
iteration 53: trace = 1.040877620151859 (1.40389e-10% change)
linmin: converged after 6 iterations.
iteration 54: trace = 1.040877620150959 (8.65244e-11% change)
Finished solving for bands 1 to 5 after 54 iterations.
freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264
Felapsed time for k point: 0.39992833137512207
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5>
Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45>
Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0>
Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526%
total elapsed time for run: 10.62076735496521
done
/tmp/meepg15Lzl/test_diamond-0: 10.63s
/tmp/meepg15Lzl/test_epsilon_input_file-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5"
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0022139549255371094
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...
near maximum in trace
linmin: converged after 14 iterations.
iteration 1: trace = 15.01049802134615 (194.322% change)
linmin: converged after 11 iterations.
iteration 2: trace = 6.706692165729402 (76.4722% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.931553794724423 (12.2665% change)
linmin: converged after 6 iterations.
iteration 4: trace = 5.66263534197199 (4.63885% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.52737228970616 (2.41757% change)
linmin: converged after 7 iterations.
iteration 6: trace = 5.47481726468407 (0.955356% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.45264771076122 (0.405758% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.443329006331453 (0.171049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.437411735012713 (0.108766% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.434223793409262 (0.058647% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.432629201927889 (0.0293478% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.431266964497161 (0.0250782% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.430129964014599 (0.0209365% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.428352252894501 (0.0327433% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.425410096349268 (0.0542145% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.421476783206287 (0.0725243% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.418133499341883 (0.0616864% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.416179004384954 (0.0360797% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.415183619213011 (0.0183797% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.414790413232867 (0.00726144% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.414658533289126 (0.00243558% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.414605098261726 (0.000986864% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.41457978258746 (0.000467545% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.414557159787791 (0.000417814% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.414537709366753 (0.000359225% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.414526431428378 (0.00020829% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.41451605909779 (0.000191565% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.414506000595718 (0.000185769% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.41449557958566 (0.000192465% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.41448635782213 (0.000170316% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.414478585160106 (0.000143553% change)
linmin: converged after 5 iterations.
iteration 32: trace = 5.414473688675684 (9.04332e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.414471810062541 (3.46961e-05% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.414471116517078 (1.28091e-05% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.414470893896504 (4.11158e-06% change)
linmin: converged after 2 iterations.
iteration 36: trace = 5.414470830684592 (1.16746e-06% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.414470802007637 (5.29635e-07% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.414470781361689 (3.81311e-07% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.414470762077194 (3.56166e-07% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.414470741386276 (3.82141e-07% change)
linmin: converged after 2 iterations.
iteration 41: trace = 5.414470722667651 (3.45715e-07% change)
linmin: converged after 2 iterations.
iteration 42: trace = 5.414470706127513 (3.0548e-07% change)
linmin: converged after 2 iterations.
iteration 43: trace = 5.414470693366219 (2.35689e-07% change)
linmin: converged after 2 iterations.
iteration 44: trace = 5.414470683200175 (1.87757e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 5.414470674912629 (1.53063e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 5.414470669970523 (9.12759e-08% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.414470667695273 (4.20217e-08% change)
linmin: converged after 2 iterations.
iteration 48: trace = 5.414470666815693 (1.6245e-08% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.414470666454864 (6.66415e-09% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.414470666309406 (2.68647e-09% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.414470666257172 (9.64723e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.414470666225634 (5.82466e-10% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.414470666199085 (4.90342e-10% change)
linmin: converged after 5 iterations.
iteration 54: trace = 5.414470666173619 (4.70329e-10% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.414470666149859 (4.38818e-10% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.414470666128734 (3.90164e-10% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.414470666110477 (3.37196e-10% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.414470666093905 (3.06062e-10% change)
linmin: converged after 2 iterations.
iteration 59: trace = 5.41447066608077 (2.42596e-10% change)
linmin: converged after 4 iterations.
iteration 60: trace = 5.41447066607217 (1.58821e-10% change)
linmin: converged after 2 iterations.
iteration 61: trace = 5.414470666068269 (7.20619e-11% change)
Finished solving for bands 2 to 8 after 61 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475
elapsed time for k point: 0.1703956127166748
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.414034200818929 (0.770067% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.394129086431263 (0.368335% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.387838054235908 (0.116695% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.38573302126024 (0.0390777% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.385123764190084 (0.0113131% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.384850308348899 (0.00507812% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.384742385265687 (0.00200422% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.384707331033515 (0.000650994% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.384697125432801 (0.00018953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.384694738826758 (4.4322e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.384693738418337 (1.85787e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.384693341474321 (7.37171e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.384693264290627 (1.43339e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.384693236314638 (5.19547e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.384693227539163 (1.62971e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.38469322265734 (9.06611e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.384693220298983 (4.37974e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.384693219444982 (1.58598e-08% change)
linmin: converged after 17 iterations.
iteration 19: trace = 5.384693219150675 (5.46562e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.384693219100485 (9.32088e-10% change)
linmin: converged after 13 iterations.
iteration 21: trace = 5.384693219085565 (2.77075e-10% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.384693219081496 (7.55613e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516
elapsed time for k point: 0.07570385932922363
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.35566270802623 (0.460045% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.347222135070107 (0.157725% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.345410979037556 (0.0338767% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.344984997322681 (0.00796943% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.34487907677925 (0.0019817% change)
linmin: converged after 9 iterations.
iteration 6: trace = 5.344849146440742 (0.000559983% change)
linmin: converged after 19 iterations.
iteration 7: trace = 5.34483511527354 (0.000262518% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.344829856084553 (9.83976e-05% change)
linmin: converged after 7 iterations.
iteration 9: trace = 5.344828194804125 (3.1082e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.344827781913664 (7.72505e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.344827673972557 (2.01954e-06% change)
linmin: converged after 21 iterations.
iteration 12: trace = 5.344827628371221 (8.53186e-07% change)
linmin: converged after 7 iterations.
iteration 13: trace = 5.344827617785631 (1.98053e-07% change)
linmin: converged after 6 iterations.
iteration 14: trace = 5.34482761452396 (6.10248e-08% change)
linmin: converged after 29 iterations.
iteration 15: trace = 5.344827613901648 (1.16433e-08% change)
linmin: converged after 21 iterations.
iteration 16: trace = 5.344827613761418 (2.62366e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.344827613731027 (5.68602e-10% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.344827613719941 (2.0742e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.344827613715934 (7.49783e-11% change)
Finished solving for bands 1 to 8 after 19 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644
elapsed time for k point: 0.06631970405578613
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.340457320228623 (0.319238% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.334738355255368 (0.107145% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.333227635064889 (0.0283226% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.332794678919415 (0.00811842% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.332637699662876 (0.0029437% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.332576391911257 (0.00114968% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.332547153504841 (0.000548299% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.332540332683702 (0.000127909% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.332539070811759 (2.36636e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.33253886203948 (3.91506e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.332538810551382 (9.65546e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.33253879005739 (3.8432e-07% change)
linmin: converged after 8 iterations.
iteration 13: trace = 5.332538782348803 (1.44558e-07% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.332538778533806 (7.15419e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.332538777162949 (2.57074e-08% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.332538776747995 (7.78154e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.332538776643066 (1.96772e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.332538776603643 (7.39286e-10% change)
linmin: converged after 10 iterations.
iteration 19: trace = 5.332538776587452 (3.03636e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.332538776581439 (1.1276e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.332538776580063 (2.57999e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856
elapsed time for k point: 0.07248473167419434
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.363396432905374 (0.284485% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.356814965977621 (0.122786% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.354076997915648 (0.0511249% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.352894701732656 (0.0220846% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.35244060041008 (0.00848365% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.352259473036305 (0.00338407% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.352189105551878 (0.00131473% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.352168902977461 (0.000377464% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.352160538189612 (0.000156288% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.352156103699549 (8.28542e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.352153672779482 (4.54195e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.352152330741616 (2.50747e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.352151885750048 (8.31425e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.352151731938056 (2.87383e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.352151681468188 (9.42983e-07% change)
linmin: converged after 10 iterations.
iteration 16: trace = 5.35215166667883 (2.76325e-07% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.352151661664977 (9.36792e-08% change)
linmin: converged after 17 iterations.
iteration 18: trace = 5.352151659840975 (3.40798e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.352151659337842 (9.40057e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.352151659154266 (3.42994e-09% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.352151659081804 (1.35389e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.352151659049174 (6.09659e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.352151659038404 (2.01245e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.352151659035269 (5.8563e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101
elapsed time for k point: 0.08251476287841797
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.408014214229959 (0.323637% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.395953624985706 (0.223262% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.388192869996253 (0.143929% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.383948420765395 (0.0788042% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.382101128031257 (0.034317% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.380826833882425 (0.0236793% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.379816112031413 (0.0187855% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.37889937435071 (0.0170418% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.378431618794505 (0.0086965% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.37828958778363 (0.00264079% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.378238168343272 (0.00095606% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.378217538790497 (0.000383575% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.378209482090194 (0.000149803% change)
linmin: converged after 6 iterations.
iteration 14: trace = 5.378206573501588 (5.4081e-05% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.378205626014852 (1.76172e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.378205300789663 (6.04709e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.378205138261713 (3.02197e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.378205064148518 (1.37803e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.378205024912397 (7.29539e-07% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.37820500815002 (3.11672e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.378205002382009 (1.07248e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.378204997047543 (9.91867e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.378204992784513 (7.92649e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.378204989224101 (6.62008e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.378204987266803 (3.63932e-08% change)
linmin: converged after 24 iterations.
iteration 26: trace = 5.37820498656018 (1.31386e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.378204986365549 (3.61887e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.378204986298534 (1.24606e-09% change)
linmin: converged after 10 iterations.
iteration 29: trace = 5.378204986252792 (8.50508e-10% change)
linmin: converged after 7 iterations.
iteration 30: trace = 5.378204986222929 (5.55247e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.378204986206846 (2.99043e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.378204986199396 (1.38523e-10% change)
linmin: converged after 11 iterations.
iteration 33: trace = 5.378204986194199 (9.66258e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222
elapsed time for k point: 0.11264729499816895
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.330842291784633 (1.63265% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.294046123341276 (0.692641% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.284981234196242 (0.171375% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.282498119419701 (0.0469954% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.281616824738639 (0.0166847% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.281190026018594 (0.00808116% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.281060361590569 (0.00245524% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.281017317052751 (0.000815077% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.281001279428567 (0.000303685% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.280995051890289 (0.000117924% change)
linmin: converged after 10 iterations.
iteration 11: trace = 5.280992817488505 (4.23103e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.280991955892316 (1.6315e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.280991779814334 (3.33418e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.280991731376507 (9.17211e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.280991719857134 (2.18129e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.280991716887277 (5.62367e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.280991715662335 (2.31953e-08% change)
linmin: converged after 23 iterations.
iteration 18: trace = 5.280991715170661 (9.31026e-09% change)
linmin: converged after 22 iterations.
iteration 19: trace = 5.280991714932148 (4.51643e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.280991714863477 (1.30035e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.280991714843207 (3.8383e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.280991714835504 (1.45866e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.280991714829537 (1.12986e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.280991714822687 (1.29704e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.28099171481807 (8.74389e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391
elapsed time for k point: 0.0858449935913086
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.134764281906492 (0.624371% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.124408367543085 (0.201886% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.12235773185049 (0.040025% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.12174424238861 (0.0119774% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.121558726682936 (0.00362219% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.121477742069775 (0.00158126% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.12144790474088 (0.000582594% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.121439718676669 (0.000159839% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.121437287250297 (4.74755e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.121436809310323 (9.33215e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.121436715075807 (1.84e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.121436685510688 (5.77282e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.121436680112647 (1.05401e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.121436678590913 (2.9713e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.121436678180303 (8.01748e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.121436678101739 (1.53402e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.121436678082406 (3.77491e-10% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.121436678073879 (1.66504e-10% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.121436678060035 (2.70315e-10% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.121436678042874 (3.35072e-10% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.121436678033494 (1.83153e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.121436678029978 (6.86584e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532
elapsed time for k point: 0.07563209533691406
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.994388823457364 (0.316337% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.990236163392892 (0.0831811% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.989513812263473 (0.0144763% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.989343647120124 (0.00341051% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.989291241669541 (0.00105035% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.989274244813457 (0.000340667% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.989267787671144 (0.000129421% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.98926609792218 (3.38677e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.989265604082192 (9.89805e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.989265515601321 (1.77342e-06% change)
linmin: converged after 22 iterations.
iteration 11: trace = 4.989265501206935 (2.88507e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.989265496708835 (9.01555e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.98926549570401 (2.01397e-08% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.989265495448889 (5.1134e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.989265495393171 (1.11674e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.989265495383629 (1.91262e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.989265495381122 (5.02544e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635
elapsed time for k point: 0.05908775329589844
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.909138536841025 (0.232394% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.906563118930467 (0.0524755% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.906119641576844 (0.00903886% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.906037816819474 (0.00166782% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.906013084888643 (0.000504113% change)
linmin: converged after 10 iterations.
iteration 6: trace = 4.906007389591607 (0.000116088% change)
linmin: converged after 8 iterations.
iteration 7: trace = 4.906005834953523 (3.16885e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.90600540669845 (8.7292e-06% change)
linmin: converged after 9 iterations.
iteration 9: trace = 4.906005254385182 (3.10463e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.906005216417475 (7.73903e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.906005209418547 (1.4266e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.906005206803108 (5.3311e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.906005206252122 (1.12309e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.906005206142122 (2.24213e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.906005206125057 (3.47848e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.906005206120695 (8.89083e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708
elapsed time for k point: 0.05560946464538574
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 4.880387825183426 (0.204402% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.878237626562295 (0.0440677% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.877861752868415 (0.00770541% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.87779955496193 (0.00127511% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.877780932667065 (0.000381777% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.877777338735272 (7.36797e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.877776722798983 (1.26274e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.877776610093846 (2.31058e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.877776584075415 (5.33408e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.877776575591743 (1.73925e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.877776573289267 (4.72034e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.877776572070435 (2.49874e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.877776571775751 (6.04136e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.877776571718369 (1.17639e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.877776571708921 (1.93704e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.877776571705265 (7.49469e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735
elapsed time for k point: 0.055474281311035156
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.939234288026459 (0.398492% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.934705211880217 (0.091738% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.933808978362583 (0.0181635% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.933618724668674 (0.0038562% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.933561794539691 (0.00115393% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.933546467636372 (0.000310667% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.933542429887031 (8.18428e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.933541498295165 (1.88828e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.933541269558869 (4.63635e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.933541218844876 (1.02794e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.933541212739488 (1.23753e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.933541210751458 (4.02962e-08% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.9335412103081 (8.98661e-09% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.93354121023129 (1.55689e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.93354121021697 (2.9026e-10% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.933541210214663 (4.67714e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665
elapsed time for k point: 0.05568742752075195
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.099507112162946 (0.487571% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.090581721310536 (0.175178% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.088071827630135 (0.0493168% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.087225562912054 (0.0166337% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.086961938952485 (0.00518221% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.086853665324287 (0.00212848% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.086807094856582 (0.000915511% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.086793518222227 (0.000266899% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.086790021445181 (6.87423e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.08678920338145 (1.60821e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.086789045520231 (3.10336e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.086788991806464 (1.05595e-06% change)
linmin: converged after 21 iterations.
iteration 13: trace = 5.086788981872507 (1.95289e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.086788979939779 (3.79951e-08% change)
linmin: converged after 12 iterations.
iteration 15: trace = 5.086788979425322 (1.01136e-08% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.086788979343622 (1.60614e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.086788979319492 (4.74349e-10% change)
linmin: converged after 14 iterations.
iteration 18: trace = 5.086788979306892 (2.47712e-10% change)
linmin: converged after 8 iterations.
iteration 19: trace = 5.086788979301441 (1.07155e-10% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.086788979299679 (3.46416e-11% change)
Finished solving for bands 1 to 8 after 20 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247
elapsed time for k point: 0.06958436965942383
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.309330906730185 (0.847184% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.280371277324416 (0.546939% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.269934727134918 (0.197844% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.265762219365082 (0.0792071% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.264459973518648 (0.0247335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.263804604149918 (0.0124497% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.263469633537593 (0.00636386% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.26332510873088 (0.00274585% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.263272539866877 (0.000998782% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.263261122021764 (0.000216935% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.263257754583083 (6.39801e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.263256795625345 (1.82199e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.263256607031204 (3.58322e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.263256551248045 (1.05986e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.263256530468793 (3.94798e-07% change)
linmin: converged after 8 iterations.
iteration 16: trace = 5.263256521693534 (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 = 5.263256513415704 (3.65701e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.263256512765325 (1.2357e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.26325651252615 (4.54425e-09% change)
linmin: converged after 22 iterations.
iteration 21: trace = 5.26325651238184 (2.74183e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.263256512320006 (1.17483e-09% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.263256512296805 (4.40811e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.263256512290631 (1.17299e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.263256512288837 (3.40876e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602
elapsed time for k point: 0.08575057983398438
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.410850204125079 (1.34359% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.374437224940516 (0.675234% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.366093703686881 (0.155365% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.363891157761086 (0.041054% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.363304623244995 (0.0109355% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.363093120245416 (0.0039436% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.363009973967477 (0.00155035% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.362962308859946 (0.000888779% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.36292814899808 (0.000636961% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.362908167195258 (0.000372592% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.36289744556306 (0.000199922% change)
linmin: converged after 14 iterations.
iteration 12: trace = 5.362890832294543 (0.000123315% change)
linmin: converged after 8 iterations.
iteration 13: trace = 5.362888873060136 (3.65332e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.362888159902967 (1.3298e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.362887935137225 (4.19113e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.362887877004606 (1.08398e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.362887858604021 (3.4311e-07% change)
linmin: converged after 13 iterations.
iteration 18: trace = 5.362887851988768 (1.23352e-07% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.362887849877557 (3.93671e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.362887849213481 (1.23828e-08% change)
linmin: converged after 18 iterations.
iteration 21: trace = 5.362887849013017 (3.73798e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.362887848952664 (1.12538e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.362887848922157 (5.68857e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.362887848904121 (3.36316e-10% change)
linmin: converged after 23 iterations.
iteration 25: trace = 5.362887848892485 (2.16973e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.3628878488858 (1.24659e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.362887848881172 (8.62858e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311
elapsed time for k point: 0.09260249137878418
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.461006864438431 (1.06365% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.43287145074271 (0.516536% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.422688497820124 (0.187608% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.417696175353642 (0.092106% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.416105680944066 (0.0293617% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.415171295312798 (0.0172535% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.414783176172479 (0.00716751% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.414648244036304 (0.00249195% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.414594483994404 (0.000992868% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.414576265048869 (0.000336479% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.414564861067752 (0.000210617% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.414555419969368 (0.000174365% change)
linmin: converged after 22 iterations.
iteration 13: trace = 5.414537376508164 (0.00033324% change)
large trace change predicted (0.000679766%)
linmin: converged after 5 iterations.
iteration 14: trace = 5.41450055299978 (0.000680088% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.414478702493852 (0.000403556% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.414472728543198 (0.000110333% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.414471330541875 (2.58197e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.414470844198777 (8.98228e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.414470719354939 (2.30574e-06% change)
linmin: converged after 9 iterations.
iteration 20: trace = 5.414470681314292 (7.02574e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.414470670480571 (2.00088e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.414470667611987 (5.298e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.414470666661462 (1.75553e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.414470666362716 (5.51755e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.414470666267754 (1.75386e-09% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.414470666221952 (8.45911e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.414470666193717 (5.21476e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.414470666171711 (4.0642e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.414470666155404 (3.01174e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.414470666140545 (2.74435e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.414470666122156 (3.39624e-10% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.414470666102801 (3.57471e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.414470666086897 (2.93726e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.414470666075439 (2.11625e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 5.414470666069086 (1.17336e-10% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.414470666066693 (4.41918e-11% change)
Finished solving for bands 2 to 8 after 36 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475
F.elapsed time for k point: 0.10136270523071289
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05%
Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015%
Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559%
total elapsed time for run: 1.3202216625213623
done
/tmp/meepg15Lzl/test_epsilon_input_file-0: 1.32s
/tmp/meepg15Lzl/test_first_brillouin_zone-0
========================
/tmp/meepg15Lzl/test_first_brillouin_zone-0: 0.10s
/tmp/meepg15Lzl/test_fractional_lattice-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 4 x 4 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.1, 0, 0)
(0, 0.1, 0)
(0, 0, 1)
Cell volume = 0.01
Reciprocal lattice vectors (/ 2 pi):
(10, -0, 0)
(-0, 10, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.00020885467529296875
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...
linmin: converged after 9 iterations.
iteration 1: trace = 94.48114237152929 (61.751% change)
linmin: converged after 7 iterations.
iteration 2: trace = 83.8504910917422 (11.9223% change)
linmin: converged after 5 iterations.
switching to approximate line minimization (decrease time by 53.7037%)
iteration 3: trace = 83.3461110942816 (0.603338% change)
iteration 4: trace = 83.3335997859713 (0.0150124% change)
iteration 5: trace = 83.33333949085052 (0.000312354% change)
iteration 6: trace = 83.33333352466033 (7.15943e-06% change)
iteration 7: trace = 83.33333333657092 (2.25707e-07% change)
iteration 8: trace = 83.33333333338274 (3.82581e-09% change)
iteration 9: trace = 83.33333333333437 (5.80485e-11% change)
Finished solving for bands 2 to 8 after 9 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248
elapsed time for k point: 0.0010149478912353516
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 10 iterations.
iteration 1: trace = 82.33333333334654 (0.722248% change)
linmin: converged after 2 iterations.
iteration 2: trace = 82.33333333333381 (1.54651e-11% change)
Finished solving for bands 1 to 8 after 2 iterations.
tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146
elapsed time for k point: 0.0006647109985351562
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 82.66666666666671 (5.67288e-13% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925
elapsed time for k point: 0.0001583099365234375
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 84.33333333333334 (3.37016e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462
elapsed time for k point: 0.00016355514526367188
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
switching to approximate line minimization (decrease time by 56.1644%)
iteration 1: trace = 87.33333333333333 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655
elapsed time for k point: 0.00017452239990234375
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 91.66666666666669 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416
elapsed time for k point: 0.0001456737518310547
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 61.9048%)
iteration 1: trace = 90.66666666676359 (3.571% change)
iteration 2: trace = 90.66666762987174 (1.06225e-06% change)
iteration 3: trace = 90.66666666666723 (1.06236e-06% change)
iteration 4: trace = 90.66666666666674 (5.32907e-13% change)
Finished solving for bands 1 to 8 after 4 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975
elapsed time for k point: 0.00031375885009765625
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 91.00000000000001 (7.80816e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748
elapsed time for k point: 0.00015044212341308594
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 92.66666666666667 (1.53355e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842
elapsed time for k point: 0.00014925003051757812
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 46 iterations.
iteration 1: trace = 95.66666666666666 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369
elapsed time for k point: 0.0003924369812011719
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
switching to approximate line minimization (decrease time by 55.8824%)
iteration 1: trace = 100 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435
elapsed time for k point: 0.00017523765563964844
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 91.33333333333334 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697
elapsed time for k point: 0.00014853477478027344
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 46 iterations.
iteration 1: trace = 85.33333333333334 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224
elapsed time for k point: 0.00037026405334472656
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 82 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333
elapsed time for k point: 0.00015664100646972656
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 40 iterations.
iteration 1: trace = 81.33333333333334 (1.74724e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284
elapsed time for k point: 0.00033736228942871094
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 33 iterations.
iteration 1: trace = 83.33333333333334 (0% change)
Finished solving for bands 2 to 8 after 1 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248
.elapsed time for k point: 0.0002598762512207031
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0>
total elapsed time for run: 0.005357980728149414
done
/tmp/meepg15Lzl/test_fractional_lattice-0: 0.01s
/tmp/meepg15Lzl/test_get_bfield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0014624595642089844
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14335036277770996
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.4058830738067627
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08919429779052734
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.0822746753692627
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09528994560241699
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14841842651367188
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11227226257324219
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09525942802429199
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08204340934753418
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07863950729370117
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07857346534729004
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.062193870544433594
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07223939895629883
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09885358810424805
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11546492576599121
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.25371265411376953
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0163958072662354
done
Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
./tmp/meepg15Lzl/test_get_bfield-0: 2.02s
/tmp/meepg15Lzl/test_get_dfield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0014297962188720703
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1454606056213379
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.406963586807251
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.0896446704864502
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08234715461730957
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09549307823181152
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14877033233642578
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.1128232479095459
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09565973281860352
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08248305320739746
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07895708084106445
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07867169380187988
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.0623166561126709
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07245373725891113
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09933900833129883
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11586141586303711
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.25766587257385254
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0276641845703125
done
Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842
./tmp/meepg15Lzl/test_get_dfield-0: 2.04s
/tmp/meepg15Lzl/test_get_efield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013532638549804688
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.145249605178833
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.4060556888580322
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08964800834655762
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08263921737670898
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09562563896179199
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14920735359191895
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11227655410766602
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.0957021713256836
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08259105682373047
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07889509201049805
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07875227928161621
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.062395334243774414
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07246232032775879
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09952497482299805
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11650371551513672
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.25812840461730957
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0283260345458984
done
Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
./tmp/meepg15Lzl/test_get_efield-0: 2.03s
/tmp/meepg15Lzl/test_get_eigenvectors-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013759136199951172
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1455059051513672
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
Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882
Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894
Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555
Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555
Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 7 iterations.
iteration 1: trace = 5.581244026696292 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490351 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957673 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526859 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966758 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.568412126299268 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.56798196012209 (0.00772541% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607941 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.567469488484445 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.5674314806203 (0.00068268% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.567416724766411 (0.000265039% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796393766 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003681 (1.09636e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.567408898969306 (5.15562e-06% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.56740877689189 (2.19272e-06% change)
linmin: converged after 14 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.56740870472469 (3.30164e-07% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.567408695925265 (1.58052e-07% change)
linmin: converged after 18 iterations.
iteration 21: trace = 5.567408689562832 (1.1428e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.567408680883109 (1.55902e-07% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.567408666017922 (2.67004e-07% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.567408645087862 (3.75939e-07% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.567408614757096 (5.44791e-07% change)
large trace change predicted (2.01092e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502816416 (2.01064e-06% change)
near maximum in trace
linmin: converged after 15 iterations.
iteration 27: trace = 5.566934835523604 (0.00850822% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.566934530343008 (5.48202e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.566934225147977 (5.48228e-06% change)
linmin: converged after 8 iterations.
iteration 30: trace = 5.566933920036067 (5.48079e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.56693361509334 (5.47775e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.56693331039379 (5.47338e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933006000246 (5.46789e-06% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.566932701965428 (5.46144e-06% change)
linmin: converged after 8 iterations.
iteration 35: trace = 5.566932398332735 (5.45422e-06% change)
linmin: converged after 8 iterations.
iteration 36: trace = 5.566932095137195 (5.44637e-06% change)
linmin: converged after 8 iterations.
iteration 37: trace = 5.566931792406258 (5.43802e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931490160487 (5.42931e-06% change)
linmin: converged after 6 iterations.
iteration 39: trace = 5.566931188414395 (5.42033e-06% change)
linmin: converged after 7 iterations.
iteration 40: trace = 5.566930887176978 (5.41119e-06% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.566930586452395 (5.40198e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930286240471 (5.39277e-06% change)
linmin: converged after 9 iterations.
iteration 43: trace = 5.566929986537181 (5.38364e-06% change)
linmin: converged after 6 iterations.
iteration 44: trace = 5.566929687335154 (5.37463e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.56692938862407 (5.36581e-06% change)
linmin: converged after 11 iterations.
iteration 46: trace = 5.566929090391031 (5.35723e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.56692879262083 (5.34891e-06% change)
linmin: converged after 9 iterations.
iteration 48: trace = 5.566928495296353 (5.34091e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928198378974 (5.33359e-06% change)
linmin: converged after 24 iterations.
iteration 50: trace = 5.566927901887999 (5.32594e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.566927605763643 (5.31935e-06% change)
linmin: converged after 12 iterations.
iteration 52: trace = 5.566927310020358 (5.3125e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927014600721 (5.30669e-06% change)
linmin: converged after 5 iterations.
iteration 54: trace = 5.566926719511573 (5.30075e-06% change)
linmin: converged after 9 iterations.
iteration 55: trace = 5.566926424712653 (5.29554e-06% change)
linmin: converged after 5 iterations.
iteration 56: trace = 5.566926130166101 (5.29101e-06% change)
linmin: converged after 6 iterations.
iteration 57: trace = 5.566925835871702 (5.28648e-06% change)
linmin: converged after 9 iterations.
iteration 58: trace = 5.566925541790937 (5.28264e-06% change)
linmin: converged after 10 iterations.
iteration 59: trace = 5.566925247897712 (5.27927e-06% change)
linmin: converged after 6 iterations.
iteration 60: trace = 5.566924954156915 (5.27654e-06% change)
linmin: converged after 6 iterations.
iteration 61: trace = 5.566924660552115 (5.27409e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924367064406 (5.27199e-06% change)
linmin: converged after 11 iterations.
iteration 63: trace = 5.566924073659454 (5.2705e-06% change)
linmin: converged after 12 iterations.
iteration 64: trace = 5.566923780311137 (5.26949e-06% change)
linmin: converged after 5 iterations.
iteration 65: trace = 5.566923486988138 (5.26903e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923193675325 (5.26885e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922900337394 (5.2693e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922606953678 (5.27012e-06% change)
linmin: converged after 6 iterations.
iteration 69: trace = 5.566922313501016 (5.27136e-06% change)
resetting CG direction...
large trace change predicted (0.0754154%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718699289037 (0.0755391% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516817389784 (0.0575762% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793179139252 (0.0490026% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554012045602661 (0.0500618% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552007094045905 (0.0361057% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550549057842941 (0.0262649% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458397204102 (0.0196515% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474953700598 (0.017723% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115187955224 (0.02451% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236368598172 (0.0338759% change)
linmin: converged after 9 iterations.
iteration 80: trace = 5.543229142567636 (0.0362039% change)
linmin: converged after 10 iterations.
iteration 81: trace = 5.541884517727373 (0.02426% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240187846709 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832178757127 (0.00736341% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632129926411 (0.00361051% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551229245906 (0.00146015% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984637142 (0.000600025% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.540507595613592 (0.00018751% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503181743341 (7.96655e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522107331 (2.99546e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500790404958 (1.32064e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500268932853 (9.412e-06% change)
linmin: converged after 7 iterations.
iteration 92: trace = 5.540499832064119 (7.88501e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499529384537 (5.46304e-06% change)
linmin: converged after 8 iterations.
iteration 94: trace = 5.540499207175216 (5.81553e-06% change)
linmin: converged after 10 iterations.
iteration 95: trace = 5.540498785286145 (7.61464e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246106514 (9.73161e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716467954 (9.5594e-06% change)
linmin: converged after 11 iterations.
iteration 98: trace = 5.540497530058075 (3.3645e-06% change)
linmin: converged after 4 iterations.
iteration 99: trace = 5.540497433477556 (1.74317e-06% change)
linmin: converged after 5 iterations.
iteration 100: trace = 5.540497373258972 (1.08688e-06% change)
linmin: converged after 19 iterations.
iteration 101: trace = 5.540497321020577 (9.42847e-07% change)
linmin: converged after 7 iterations.
iteration 102: trace = 5.540497282526125 (6.94783e-07% change)
linmin: converged after 19 iterations.
iteration 103: trace = 5.540497260437016 (3.98685e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241875 (1.84011e-07% change)
linmin: converged after 7 iterations.
iteration 105: trace = 5.540497245841268 (7.94262e-08% change)
linmin: converged after 22 iterations.
iteration 106: trace = 5.540497244298022 (2.78539e-08% change)
linmin: converged after 20 iterations.
iteration 107: trace = 5.54049724357753 (1.30041e-08% change)
linmin: converged after 17 iterations.
iteration 108: trace = 5.540497243251986 (5.87572e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063252 (3.40644e-09% change)
linmin: converged after 15 iterations.
iteration 110: trace = 5.5404972429578 (1.9033e-09% change)
linmin: converged after 9 iterations.
iteration 111: trace = 5.540497242914308 (7.84973e-10% change)
linmin: converged after 5 iterations.
iteration 112: trace = 5.54049724287935 (6.30967e-10% change)
linmin: converged after 7 iterations.
iteration 113: trace = 5.540497242844003 (6.37972e-10% change)
linmin: converged after 4 iterations.
iteration 114: trace = 5.540497242790192 (9.71234e-10% change)
linmin: converged after 8 iterations.
iteration 115: trace = 5.540497242723097 (1.21099e-09% change)
linmin: converged after 5 iterations.
iteration 116: trace = 5.5404972426584 (1.16771e-09% change)
linmin: converged after 21 iterations.
iteration 117: trace = 5.540497242618865 (7.13573e-10% change)
linmin: converged after 9 iterations.
iteration 118: trace = 5.540497242597718 (3.81674e-10% change)
linmin: converged after 6 iterations.
iteration 119: trace = 5.540497242587055 (1.92464e-10% change)
linmin: converged after 4 iterations.
iteration 120: trace = 5.540497242581504 (1.00176e-10% change)
linmin: converged after 6 iterations.
iteration 121: trace = 5.540497242579402 (3.79446e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.40752077102661133
Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721
Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036
Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536
Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726
Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733
Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915
Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425
Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081904197 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029238665 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032114 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774016 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600184 (0.00664425% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.499421768472725 (0.00159856% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.49939411071745 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903555 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644882 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203354394 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158939 (1.3696e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.499375151065395 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510659 (2.44673e-06% change)
linmin: converged after 25 iterations.
iteration 14: trace = 5.499374968565679 (8.71826e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.49937495268447 (2.88782e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.499374947904288 (8.69223e-08% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.499374946845077 (1.92606e-08% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.499374946585432 (4.72137e-09% change)
linmin: converged after 15 iterations.
iteration 19: trace = 5.499374946459587 (2.28835e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.499374946407666 (9.44128e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.499374946373184 (6.27012e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.499374946343337 (5.42723e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.499374946309959 (6.06953e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.499374946288361 (3.92733e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55853e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.499374946276071 (6.76223e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08928632736206055
Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365
Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243
Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638
Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159
Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032
Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228
Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759
Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070073415 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109187258 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.48705611194667 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972764 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583154 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149402 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235695 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.48546977263449 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450177 (0.000140848% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302667 (1.14345e-05% change)
linmin: converged after 26 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 6 iterations.
iteration 14: trace = 5.485459100856722 (4.07767e-07% change)
linmin: converged after 9 iterations.
iteration 15: trace = 5.485459090161544 (1.94973e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.485459083892637 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.25869e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.48545908063929 (1.67216e-08% change)
linmin: converged after 22 iterations.
iteration 19: trace = 5.485459080258169 (6.94786e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162864 (1.73741e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.485459080117765 (8.2214e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.485459080098437 (3.5236e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.485459080091234 (1.31313e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087866 (6.13982e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08247947692871094
Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437
Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322
Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315
Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542
Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129
Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024
Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991
Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023686845 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601550851 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987764577 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809282725 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433401 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742667397 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728544 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831476 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534786 (0.000321712% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.504375542715216 (0.000137015% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.504370385450914 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323706 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496819 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098138 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759298 (8.49034e-06% change)
linmin: converged after 10 iterations.
iteration 16: trace = 5.504362239277654 (3.46056e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.504362167575552 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222023 (3.57677e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.504362095716725 (1.18184e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.504362093490904 (4.04374e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.504362092750774 (1.34463e-08% change)
linmin: converged after 16 iterations.
iteration 23: trace = 5.504362092362593 (7.05224e-09% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.504362092126029 (4.29775e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030187 (1.74121e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.504362091995301 (6.33786e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.504362091984241 (2.00924e-10% change)
linmin: converged after 8 iterations.
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: 0.09575581550598145
Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052
Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052
Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829
Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151
Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436
Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494
Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171
Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373816362 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679619856 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373176 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343177978 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180043 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600309 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565389 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740501 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533685004 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443202 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714559 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259601 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189773 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693475 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652964 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689267 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647871 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294862 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327792 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295133 (8.84716e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.538867707344394 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530767222 (3.18797e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.53886739246091 (2.49701e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282535859 (1.98461e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.538867196565556 (1.55213e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.538867107786442 (1.60284e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688868 (2.11411e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904155147 (1.5623e-06% change)
linmin: converged after 10 iterations.
iteration 30: trace = 5.538866877341245 (4.84104e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.538866871036468 (1.13828e-07% change)
linmin: converged after 5 iterations.
iteration 32: trace = 5.53886686954973 (2.68419e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090199 (8.29648e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868884011 (3.72257e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762681 (2.19051e-09% change)
linmin: converged after 9 iterations.
iteration 36: trace = 5.53886686869315 (1.25533e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641546 (9.31672e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615201 (4.75641e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605639 (1.72637e-10% change)
linmin: converged after 6 iterations.
iteration 40: trace = 5.538866868600092 (1.00141e-10% change)
linmin: converged after 21 iterations.
iteration 41: trace = 5.538866868590822 (1.67361e-10% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.538866868573498 (3.1277e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559324 (2.55909e-10% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.538866868553962 (9.68056e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.1497783660888672
Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878
Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407
Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103
Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286
Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821
Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134
Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595
Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033777615 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081945518 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780923792 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922754058 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.42156545108918 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496871733 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757032539 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055600301 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792744 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109974 (0.000625805% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.419810483680911 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901301 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057772 (5.90214e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.41979814967787 (1.5395e-05% change)
linmin: converged after 11 iterations.
iteration 15: trace = 5.419797850965186 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322768 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546705 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573499 (1.84014e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.419797735608417 (5.47084e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734088984 (2.80349e-08% change)
linmin: converged after 21 iterations.
iteration 21: trace = 5.419797733507753 (1.07242e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.419797733261658 (4.54066e-09% change)
linmin: converged after 11 iterations.
iteration 23: trace = 5.419797733151182 (2.0384e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102891 (8.90997e-10% change)
linmin: converged after 2 iterations.
iteration 25: trace = 5.419797733077007 (4.77586e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.419797733054168 (4.21409e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031984 (4.09298e-10% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.41979773301672 (2.81638e-10% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.419797733003427 (2.45274e-10% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.419797732989453 (2.57827e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.419797732973866 (2.87604e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963328 (1.94423e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958387 (9.11646e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11258482933044434
Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153
Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504
Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334
Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492
Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663
Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067
Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657
Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098775 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345183182 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628588963 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571972 (0.0200646% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.241214212212872 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880097 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573597 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.24087174159758 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765969 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877317 (9.17004e-05% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.240854364699085 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786505 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321847 (1.51625e-06% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.240853950743166 (6.91046e-08% change)
linmin: converged after 14 iterations.
iteration 16: trace = 5.240853949555026 (2.26707e-08% change)
linmin: converged after 19 iterations.
iteration 17: trace = 5.240853949179415 (7.16697e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.240853949031692 (2.81869e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.240853948976929 (1.04493e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.240853948939868 (7.07139e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07549e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.240853948833732 (9.49688e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.240853948802545 (5.95067e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.240853948778208 (4.6437e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.240853948757247 (3.99954e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.24085394874231 (2.85018e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735854 (1.23189e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.240853948733923 (3.68432e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09583449363708496
Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192
Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151
Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756
Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492
Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702
Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563
Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912
Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984913334 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052906 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866141 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833586 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.09661672198651 (0.00298415% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.096573167031523 (0.000854589% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.096545531978203 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143689 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.096544277659975 (2.58582e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.096544274637563 (5.93032e-08% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.096544273956442 (1.33644e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71732e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707483 (1.16754e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672398 (6.88404e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.92228e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.096544273547274 (1.46285e-09% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.096544273463897 (1.63597e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.39936e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 5.096544273414496 (2.29358e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.096544273410623 (7.59995e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08265995979309082
Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119
Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991
Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416
Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227
Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265
Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548
Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739
Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910328 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962015 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252272 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190485 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301295 (0.00137859% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.006443503180207 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863524 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.006437606345084 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310695 (1.27243e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.006436638672484 (6.60426e-06% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.006436539138805 (1.98811e-06% change)
linmin: converged after 12 iterations.
iteration 12: trace = 5.006436508297357 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318631 (1.79344e-07% change)
linmin: converged after 23 iterations.
iteration 14: trace = 5.006436497214725 (4.2024e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812788 (8.02841e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.00643649671343 (1.9846e-09% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.006436496673627 (7.95033e-10% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.006436496632907 (8.13359e-10% change)
large trace change predicted (2.20202e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 5.006436496522667 (2.20196e-09% change)
linmin: converged after 12 iterations.
iteration 20: trace = 5.006436496410068 (2.24908e-09% change)
linmin: converged after 10 iterations.
iteration 21: trace = 5.006436496357244 (1.05513e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.006436496344438 (2.55786e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.006436496341392 (6.08507e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07949137687683105
Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619
Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506
Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014
Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641
Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599
Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988
Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139
Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.97899375042192 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350138666 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668872994 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931619 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.97599920536234 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.9759871531917 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125811 (4.0958e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.975984462449321 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964288 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211398 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705353 (3.92004e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.975984271802621 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.97598426749548 (8.65586e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.975984265893696 (5.40348e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819601 (1.48906e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774339 (9.096e-10% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.975984265706847 (1.35635e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533269 (3.48832e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426871 (2.13822e-09% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.975984265393327 (6.74115e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384496 (1.77476e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381781 (5.45653e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07881021499633789
Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977
Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038
Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505
Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199
Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362
Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728
Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981
Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627902 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841112 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213692 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352593 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.036388281602311 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959927 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251282 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323872 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.036378497300829 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106178 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34381e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128378 (1.55433e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.036378479954632 (3.44983e-09% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.036378479909362 (8.98852e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898018 (2.25238e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.036378479895266 (5.46517e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.062432289123535156
Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873
Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702
Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561
Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149
Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734
Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642
Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792
Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352165317 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254329344 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459524669 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191119654 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347321 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445593 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487764 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.206579319181517 (0.00049% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.206571394211565 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670577 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.20656674144837 (2.07473e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737289 (1.95434e-06% change)
linmin: converged after 20 iterations.
iteration 14: trace = 5.206566313192126 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.206566308082134 (9.81452e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.206566306507289 (3.02473e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040202 (8.97113e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927631 (2.16209e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29761e-10% change)
linmin: converged after 8 iterations.
iteration 20: trace = 5.20656630589373 (1.21356e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.206566305891688 (3.92353e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07241201400756836
Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199
Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433
Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532
Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127
Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045
Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859
Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411
Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756293992 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812739307 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622411479 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356550667 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971023 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855462 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333846 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338574961 (0.00709503% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.41726912939794 (0.00376953% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.417145557811525 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895446 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907003 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.417088991729021 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.417088858207657 (2.46482e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.417088812132402 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744951 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389878 (2.28076e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.417088770680259 (1.054e-07% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.417088768321157 (4.35492e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.417088767370204 (1.75547e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.41708876692841 (8.15556e-09% change)
linmin: converged after 10 iterations.
iteration 24: trace = 5.417088766681356 (4.56064e-09% change)
linmin: converged after 10 iterations.
iteration 25: trace = 5.417088766554598 (2.33997e-09% change)
linmin: converged after 10 iterations.
iteration 26: trace = 5.417088766462989 (1.69112e-09% change)
linmin: converged after 11 iterations.
iteration 27: trace = 5.417088766423705 (7.25189e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.417088766412562 (2.05686e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409225 (6.16157e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09895563125610352
Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604
Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397
Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696
Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612
Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489
Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446
Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182
Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178997475 (1.22609% change)
linmin: converged after 6 iterations.
iteration 2: trace = 5.549498902382941 (0.909518% change)
linmin: converged after 6 iterations.
iteration 3: trace = 5.534363640711227 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157937 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091515 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061860524 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.52292105521615 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379669 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667835 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.52254069646597 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191286 (0.00170514% change)
linmin: converged after 8 iterations.
iteration 12: trace = 5.522358366920831 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118334 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461869 (0.000382933% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.522271218168351 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619550511 (4.70571e-05% change)
linmin: converged after 14 iterations.
iteration 17: trace = 5.52226795829274 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758809014 (3.61235e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.522267691563947 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644702 (4.33142e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656938316 (1.93877e-07% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.522267653032532 (7.07279e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.522267650435404 (4.70301e-08% change)
linmin: converged after 32 iterations.
iteration 24: trace = 5.522267648929526 (2.72692e-08% change)
linmin: converged after 24 iterations.
iteration 25: trace = 5.522267648122488 (1.46142e-08% change)
linmin: converged after 16 iterations.
iteration 26: trace = 5.52226764745812 (1.20307e-08% change)
linmin: converged after 8 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 16 iterations.
iteration 28: trace = 5.5222676462904 (9.63754e-09% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.522267645965358 (5.88603e-09% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.522267645803391 (2.93299e-09% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.522267645716788 (1.56825e-09% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.522267645679249 (6.79773e-10% change)
linmin: converged after 2 iterations.
iteration 33: trace = 5.522267645667601 (2.10936e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664741 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11607193946838379
Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606
Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002
Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476
Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887
Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944
Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838
Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459
Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.62341534369291 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468799225 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640940337 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172742819 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.57161873626484 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107768875 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898397 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.569460656419794 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950425 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401032 (0.00100529% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.569256880778756 (0.000593805% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.569207664431215 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.56913350253315 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283174022 (0.00806656% change)
near maximum in trace
linmin: converged after 11 iterations.
iteration 15: trace = 5.566399673351522 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201605374 (0.0154236% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.564709388825232 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783784843896 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008468074 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637398427 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813630801959 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618236061 (0.0269652% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.556960244586609 (0.0243696% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.555789586694767 (0.0210687% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.554798721104044 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114278892 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376036027672 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677030462 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583829627 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970112273 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061024367 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957025719 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590488221 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526820524 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677434417 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864325197214 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189085463 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717952991 (0.002837% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.550390745016765 (0.00264794% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.550253430569195 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903540151 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004421846708 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461704793 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756741302 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477347372 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231303523 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437749279 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430732277 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300352011 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831719784 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789454556 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392897125 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424469458 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.54907895413011 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214418771 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603435091 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936441469369 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438507597 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472344308 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214321412 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940491089 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719124848 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070105016 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460562136 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157925546 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782844302 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723873994 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403346127 (0.000456344% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919688256 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976735944 (0.00347744% change)
linmin: converged after 5 iterations.
iteration 71: trace = 5.548232222550427 (0.00176188% change)
linmin: converged after 6 iterations.
iteration 72: trace = 5.54818008109459 (0.000939789% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373793321 (0.000391252% change)
linmin: converged after 3 iterations.
iteration 74: trace = 5.548148375778253 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673477653 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864895084 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.54813883704804 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943205 (7.65593e-05% change)
linmin: converged after 3 iterations.
iteration 79: trace = 5.548128746383531 (0.000105316% change)
linmin: converged after 3 iterations.
iteration 80: trace = 5.548123649320854 (9.187e-05% change)
linmin: converged after 3 iterations.
iteration 81: trace = 5.548120939114632 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.548119009802893 (3.47742e-05% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.54811826253436 (1.34689e-05% change)
linmin: converged after 7 iterations.
iteration 84: trace = 5.548117907882045 (6.3923e-06% change)
linmin: converged after 23 iterations.
iteration 85: trace = 5.548117802015849 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686875 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54811772942818 (2.20952e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.548117726415589 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 6 iterations.
iteration 90: trace = 5.548117725372829 (3.89394e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334797 (6.8549e-10% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.548117725327034 (1.39916e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324982 (3.6996e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.25699901580810547
Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1
Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967
Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896
Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882
Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894
Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555
Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555
Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388
.Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712%
Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132%
total elapsed time for run: 2.0419132709503174
done
/tmp/meepg15Lzl/test_get_eigenvectors-0: 2.05s
/tmp/meepg15Lzl/test_get_hfield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.001384735107421875
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14516091346740723
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.40599703788757324
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08972907066345215
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08472681045532227
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09686875343322754
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.15122556686401367
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11363649368286133
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09917140007019043
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.0828704833984375
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07969832420349121
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07925224304199219
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06270456314086914
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07350611686706543
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09979009628295898
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11746740341186523
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2596917152404785
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0442464351654053
done
Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
./tmp/meepg15Lzl/test_get_hfield-0: 2.05s
/tmp/meepg15Lzl/test_handle_cvector-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.0014858245849609375
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 13.46696798403983 (196.169% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.440830280549287 (84.8976% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.843527011222895 (11.6158% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.668700885441982 (3.67582% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.608869323792538 (1.28981% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.588596019692742 (0.440845% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.580741637908754 (0.171318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.578987295163937 (0.0383056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.578322878448064 (0.0145112% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.578003942463015 (0.00696646% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.577929653765463 (0.00162274% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.577907037545194 (0.000494028% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.577897255801734 (0.000213673% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.577895086336259 (4.739e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.577894696365646 (8.51856e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.57789463693543 (1.2982e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.577894629221514 (1.68504e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.577894627568718 (3.61038e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.577894626939212 (1.3751e-08% change)
linmin: converged after 5 iterations.
iteration 20: trace = 4.577894626693606 (5.36505e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 4.57789462661256 (1.77038e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.577894626584484 (6.1328e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.577894626574822 (2.11068e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.577894626572792 (4.43323e-11% change)
Finished solving for bands 2 to 8 after 24 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.06830310821533203
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.573594159720884 (1.05882% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.5533624235809 (0.44334% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.549198778889174 (0.0914829% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.547235691259341 (0.0431617% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.546720480078164 (0.0113308% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.546675795887479 (0.000982783% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.546668812199723 (0.0001536% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.546667474444716 (2.94228e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.546667093982199 (8.36794e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.546667026314634 (1.48829e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.546667010167314 (3.55146e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.546667005947763 (9.28054e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.546667004173656 (3.90199e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.546667003528526 (1.41891e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.546667003425869 (2.25786e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.546667003411072 (3.25448e-10% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.546667003406389 (1.02987e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.546667003404457 (4.25075e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
elapsed time for k point: 0.06254100799560547
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.480154501469817 (1.0243% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.462951577211212 (0.384719% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.458417513622179 (0.101645% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.456998073935351 (0.0318424% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.456802317102498 (0.00439222% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.456776714934251 (0.000574453% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.456772279362191 (9.95243e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.456771848143082 (9.67559e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.456771799201276 (1.41416e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.456771797345358 (4.16427e-08% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.456771796664019 (1.52877e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.456771796571513 (2.07564e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.456771796564526 (1.56759e-10% change)
linmin: converged after 6 iterations.
iteration 15: trace = 4.456771796562712 (4.07144e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
elapsed time for k point: 0.05242514610290527
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.372440119410637 (0.691847% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.366282685668829 (0.140923% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.364947654944967 (0.0305806% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.364626763463701 (0.00735182% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.364572744594429 (0.00123766% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.364566107346524 (0.000152071% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.364565316740354 (1.81142e-05% change)
linmin: converged after 15 iterations.
iteration 8: trace = 4.364565239126184 (1.77828e-06% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.364565234500086 (1.05992e-07% change)
linmin: converged after 19 iterations.
iteration 10: trace = 4.364565233724115 (1.77789e-08% change)
linmin: converged after 12 iterations.
iteration 11: trace = 4.364565233381509 (7.84974e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.364565233306733 (1.71325e-09% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.364565233299627 (1.62798e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.364565233298253 (3.14811e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
elapsed time for k point: 0.04916191101074219
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.308394919604844 (0.552361% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.304883211984182 (0.0815417% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.304231324865016 (0.0151441% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.304101774804951 (0.00300988% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.304072509722035 (0.000679937% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
linmin: converged after 18 iterations.
iteration 7: trace = 4.304069984297116 (3.09852e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.304069968915972 (3.57363e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.304069965945503 (6.90153e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.304069964779028 (2.71017e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.304069964479558 (6.95785e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.304069964440695 (9.02919e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.304069964437598 (7.1957e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
elapsed time for k point: 0.04575967788696289
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.287294007238772 (0.514399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.28412496132847 (0.0739445% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283595116492537 (0.0123684% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.283502303118704 (0.00216674% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283478596024279 (0.000553453% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.28347715445874 (3.36541e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.28347707781069 (1.78939e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283477070330029 (1.7464e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283477065633831 (3.18914e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.283477065618207 (3.64749e-10% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.283477065616427 (4.15529e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
elapsed time for k point: 0.045610666275024414
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.276566747825645 (0.530593% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.266858088831402 (0.227278% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.264882331994834 (0.0463154% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.264548458692773 (0.00782874% change)
linmin: converged after 15 iterations.
iteration 5: trace = 4.264488730548915 (0.00140058% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.264476449097829 (0.000287994% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.264474782181724 (3.90884e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.264474642738403 (3.26988e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.264474631203496 (1.26256e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.264474631199773 (8.73084e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
elapsed time for k point: 0.04230952262878418
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.232489072565515 (0.358169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.229105412374748 (0.0799769% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.228655882204029 (0.01063% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.228604967100096 (0.00120406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.228597156343835 (0.000184713% change)
linmin: converged after 15 iterations.
iteration 6: trace = 4.228595847507817 (3.0952e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.228595668484542 (4.23363e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.228595652361874 (3.09286e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.228595652271399 (2.1396e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.228595652264812 (1.55766e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.228595652264469 (8.10758e-12% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
elapsed time for k point: 0.042305707931518555
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.198038763849723 (0.248355% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.196704784159248 (0.0317813% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.196585228731935 (0.00284883% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.196578318037076 (0.000164674% change)
linmin: converged after 11 iterations.
iteration 5: trace = 4.196577861660908 (1.0875e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.196577824465235 (8.86333e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.196577821831919 (6.27491e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.196577821279777 (1.3157e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.196577821233547 (1.10163e-09% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.19657782122971 (9.14088e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
elapsed time for k point: 0.03565788269042969
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.176560952862595 (0.20622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.175731928735249 (0.0198514% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.175658188677838 (0.00176593% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.175652343488816 (0.000139983% change)
linmin: converged after 19 iterations.
iteration 5: trace = 4.175651823639799 (1.24495e-05% change)
linmin: converged after 36 iterations.
iteration 6: trace = 4.175651765087074 (1.40224e-06% change)
linmin: converged after 25 iterations.
iteration 7: trace = 4.175651761832761 (7.79355e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.175651761361389 (1.12886e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.175651761335722 (6.14694e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.175651761333511 (5.29421e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
elapsed time for k point: 0.03598475456237793
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.169192632974811 (0.188262% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168494135847975 (0.0167552% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.168418925223787 (0.00180428% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16841215172734 (0.000162496% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.168411689651685 (2.35733e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.168411689612854 (9.31558e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.168411689609142 (8.90435e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
elapsed time for k point: 0.03222823143005371
Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911
Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316
Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953
Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657
Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168
Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186
Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881
Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.201218407861227 (0.720819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.198256255957312 (0.0705318% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.197890564842538 (0.00871093% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.197857649510743 (0.000784095% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.197854429378011 (7.6709e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.197854075525583 (8.42936e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.197854052380287 (5.5136e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.197854050317016 (2.34224e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.197854050309859 (1.7049e-10% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.1978540503093 (1.33083e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
elapsed time for k point: 0.039075613021850586
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.288243522338974 (0.732668% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.283958408011073 (0.099977% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283371588299238 (0.013699% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.283281438838011 (0.00210466% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283267824693608 (0.000317844% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.28326657937046 (2.90741e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.283266497834247 (1.9036e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283266490102651 (1.80507e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283266489093189 (2.35676e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.283266489000646 (2.16059e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.283266488991158 (2.21502e-10% change)
linmin: converged after 11 iterations.
iteration 12: trace = 4.283266488990683 (1.10938e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
elapsed time for k point: 0.04227900505065918
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.420129679060165 (0.818903% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.412260674164763 (0.178185% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.410633634426059 (0.0368822% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.410197926814338 (0.00987906% change)
linmin: converged after 13 iterations.
iteration 5: trace = 4.410114427040234 (0.00189335% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.410103889016636 (0.000238952% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.410102421711938 (3.32714e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.410102293698956 (2.90272e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.410102277309537 (3.71634e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.410102274815385 (5.65554e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.410102274561973 (5.74616e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.410102274546353 (3.54196e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.410102274545237 (2.53155e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
elapsed time for k point: 0.045484304428100586
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.563328932101673 (1.027% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.544560398258617 (0.412138% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.537741031323376 (0.150168% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.535260913319919 (0.0546703% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534595991553309 (0.0146622% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.534531477384966 (0.00142272% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.534520999244495 (0.000231075% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534518657738526 (5.16374e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.534517831347481 (1.82245e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.534517644423108 (9.03518e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.534517627208908 (3.79626e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.534517623618732 (7.91744e-08% change)
linmin: converged after 8 iterations.
iteration 14: trace = 4.534517622906264 (1.57121e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.534517622781556 (2.7502e-09% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.53451762276076 (4.58611e-10% change)
linmin: converged after 8 iterations.
iteration 17: trace = 4.5345176227572 (7.85245e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
elapsed time for k point: 0.05889773368835449
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.620932082276254 (1.44492% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.585858477331197 (0.761907% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.579350993234815 (0.142004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.578211771379737 (0.0248805% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.577956393189929 (0.00557828% change)
linmin: converged after 16 iterations.
iteration 6: trace = 4.577915173102078 (0.000900408% change)
linmin: converged after 8 iterations.
iteration 7: trace = 4.577900193794617 (0.000327209% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.577895724955983 (9.76177e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.577894738564553 (2.15468e-05% change)
linmin: converged after 10 iterations.
iteration 10: trace = 4.577894647524367 (1.98869e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.577894631981888 (3.39512e-07% change)
linmin: converged after 7 iterations.
iteration 12: trace = 4.577894627560067 (9.65907e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.577894626684431 (1.91275e-08% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.577894626586341 (2.1427e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.577894626573657 (2.77072e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.577894626572483 (2.56293e-11% change)
Finished solving for bands 2 to 8 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.04581880569458008
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0>
Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506%
Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974%
Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144%
Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158%
Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939%
total elapsed time for run: 0.7486302852630615
done
Read lattice vectors
Read Bloch wavevector (-0.333333, 0.333333, 0)
Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
Found complex vector dataset...
Input data is rank 2, size 32x32x1.
Rotating vectors by matrix [ 0.8660254038, 0.5, -0
0.5, -0.8660254038, -0
-0, -0, 1 ]
Output data 96x83x1.
real part range: 0 .. 0
imag part range: 0 .. 0
real part range: 0 .. 0
imag part range: 0 .. 0
real part range: -1.03932 .. 1.03493
imag part range: -1.08496 .. 1.08496
./tmp/meepg15Lzl/test_handle_cvector-0: 0.78s
/tmp/meepg15Lzl/test_hermitian_eps-0
========================
Initializing eigensolver data
Computing 10 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 10 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.11, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Initializing mu function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
10 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.16666666666666666, 0.0, 0.0>
Vector3<0.3333333333333333, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.16666666666666666, 0.0>
Vector3<0.5, 0.3333333333333333, 0.0>
Vector3<0.5, 0.5, 0.0>
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: 0.0016641616821289062
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 46.67690825536735 (188.044% change)
linmin: converged after 7 iterations.
iteration 2: trace = 20.87201589192944 (76.4036% change)
linmin: converged after 10 iterations.
iteration 3: trace = 17.90281367460673 (15.3151% change)
linmin: converged after 7 iterations.
iteration 4: trace = 16.44745357201135 (8.47365% change)
linmin: converged after 7 iterations.
iteration 5: trace = 15.57503623871558 (5.44878% change)
linmin: converged after 7 iterations.
iteration 6: trace = 14.93685931084693 (4.18314% change)
linmin: converged after 6 iterations.
iteration 7: trace = 14.66427204412151 (1.84174% change)
large trace change predicted (3.90566%)
linmin: converged after 5 iterations.
iteration 8: trace = 14.03803967394925 (4.36364% change)
linmin: converged after 5 iterations.
iteration 9: trace = 13.72475704319461 (2.25685% change)
linmin: converged after 6 iterations.
iteration 10: trace = 13.44496718978157 (2.05957% change)
linmin: converged after 5 iterations.
iteration 11: trace = 13.08709458939926 (2.69766% change)
linmin: converged after 6 iterations.
iteration 12: trace = 12.85444591732123 (1.79364% change)
linmin: converged after 5 iterations.
iteration 13: trace = 12.55657797174782 (2.3444% change)
linmin: converged after 5 iterations.
iteration 14: trace = 12.19678333591758 (2.90704% change)
linmin: converged after 5 iterations.
iteration 15: trace = 11.81712739283433 (3.16197% change)
linmin: converged after 6 iterations.
iteration 16: trace = 11.41216612913362 (3.48664% change)
linmin: converged after 6 iterations.
iteration 17: trace = 10.90973448619632 (4.50169% change)
linmin: converged after 8 iterations.
iteration 18: trace = 10.44959835156425 (4.30853% change)
linmin: converged after 7 iterations.
iteration 19: trace = 9.946119693999728 (4.9371% change)
linmin: converged after 8 iterations.
iteration 20: trace = 9.604108858104249 (3.49879% change)
linmin: converged after 7 iterations.
iteration 21: trace = 9.066211132700758 (5.76206% change)
linmin: converged after 7 iterations.
iteration 22: trace = 8.754783680320099 (3.49506% change)
linmin: converged after 8 iterations.
iteration 23: trace = 8.366907716682842 (4.53081% change)
linmin: converged after 7 iterations.
iteration 24: trace = 8.082023293497876 (3.46387% change)
linmin: converged after 6 iterations.
iteration 25: trace = 7.760859506072383 (4.05436% change)
linmin: converged after 7 iterations.
iteration 26: trace = 7.505495003243805 (3.34545% change)
linmin: converged after 6 iterations.
iteration 27: trace = 7.127998958156258 (5.15934% change)
linmin: converged after 11 iterations.
iteration 28: trace = 6.950727436055764 (2.51829% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.788207349772075 (2.36583% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.663378833341418 (1.85597% change)
linmin: converged after 8 iterations.
iteration 31: trace = 6.387397375407015 (4.22935% change)
linmin: converged after 7 iterations.
iteration 32: trace = 6.077630099806203 (4.97018% change)
linmin: converged after 9 iterations.
iteration 33: trace = 5.845265457472709 (3.89779% change)
linmin: converged after 5 iterations.
iteration 34: trace = 5.676181876309078 (2.93511% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.533824231205664 (2.53983% change)
linmin: converged after 10 iterations.
iteration 36: trace = 5.376187973974618 (2.88975% change)
linmin: converged after 7 iterations.
iteration 37: trace = 5.264316137410749 (2.10275% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.138003212054784 (2.42855% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.056109268376328 (1.60669% change)
linmin: converged after 7 iterations.
iteration 40: trace = 4.966406354072589 (1.79003% change)
linmin: converged after 7 iterations.
iteration 41: trace = 4.865793792633924 (2.04659% change)
linmin: converged after 8 iterations.
iteration 42: trace = 4.755591543596198 (2.29078% change)
linmin: converged after 8 iterations.
iteration 43: trace = 4.669630998346893 (1.82405% change)
linmin: converged after 8 iterations.
iteration 44: trace = 4.618919953560653 (1.0919% change)
linmin: converged after 4 iterations.
iteration 45: trace = 4.558826347512805 (1.30955% change)
linmin: converged after 5 iterations.
iteration 46: trace = 4.516268796384417 (0.937898% change)
linmin: converged after 5 iterations.
iteration 47: trace = 4.466855897051691 (1.10013% change)
linmin: converged after 7 iterations.
iteration 48: trace = 4.402172815963693 (1.45863% change)
linmin: converged after 6 iterations.
iteration 49: trace = 4.348894165981942 (1.21765% change)
linmin: converged after 6 iterations.
iteration 50: trace = 4.277264475657445 (1.66076% change)
linmin: converged after 7 iterations.
iteration 51: trace = 4.218023563650445 (1.39468% change)
linmin: converged after 4 iterations.
iteration 52: trace = 4.155509345171562 (1.49314% change)
linmin: converged after 7 iterations.
iteration 53: trace = 4.094398066584754 (1.4815% change)
linmin: converged after 7 iterations.
iteration 54: trace = 4.000043134875538 (2.33135% change)
linmin: converged after 5 iterations.
iteration 55: trace = 3.922502571777799 (1.95747% change)
linmin: converged after 8 iterations.
iteration 56: trace = 3.850088394081112 (1.86332% change)
linmin: converged after 7 iterations.
iteration 57: trace = 3.791821935313555 (1.52492% change)
linmin: converged after 6 iterations.
iteration 58: trace = 3.753050708507767 (1.02775% change)
linmin: converged after 4 iterations.
iteration 59: trace = 3.719648814645396 (0.893971% change)
linmin: converged after 6 iterations.
iteration 60: trace = 3.691349243816827 (0.763718% change)
linmin: converged after 6 iterations.
iteration 61: trace = 3.665517698636417 (0.702243% change)
linmin: converged after 5 iterations.
iteration 62: trace = 3.642774923950771 (0.622383% change)
linmin: converged after 6 iterations.
iteration 63: trace = 3.621632257764969 (0.582089% change)
linmin: converged after 6 iterations.
iteration 64: trace = 3.604354313198482 (0.478217% change)
linmin: converged after 4 iterations.
iteration 65: trace = 3.588974738288043 (0.427607% change)
linmin: converged after 4 iterations.
iteration 66: trace = 3.575630801714686 (0.372496% change)
linmin: converged after 6 iterations.
iteration 67: trace = 3.563562104542054 (0.338097% change)
linmin: converged after 6 iterations.
iteration 68: trace = 3.551359863705462 (0.343004% change)
linmin: converged after 6 iterations.
iteration 69: trace = 3.539576087021361 (0.332362% change)
resetting CG direction...
large trace change predicted (2.94865%)
linmin: converged after 5 iterations.
iteration 70: trace = 3.431405225034667 (3.10346% change)
linmin: converged after 4 iterations.
iteration 71: trace = 3.364606599918429 (1.96582% change)
linmin: converged after 5 iterations.
iteration 72: trace = 3.333178753762374 (0.938455% change)
linmin: converged after 4 iterations.
iteration 73: trace = 3.327511374845806 (0.170174% change)
large trace change predicted (0.554837%)
linmin: converged after 5 iterations.
iteration 74: trace = 3.30839581049568 (0.576125% change)
linmin: converged after 4 iterations.
iteration 75: trace = 3.303101990445036 (0.16014% change)
linmin: converged after 3 iterations.
iteration 76: trace = 3.295500168802517 (0.230407% change)
linmin: converged after 4 iterations.
iteration 77: trace = 3.28807355346897 (0.22561% change)
linmin: converged after 4 iterations.
iteration 78: trace = 3.281432543666933 (0.202177% change)
linmin: converged after 6 iterations.
iteration 79: trace = 3.268340966472334 (0.399757% change)
linmin: converged after 4 iterations.
iteration 80: trace = 3.263337195175677 (0.153215% change)
large trace change predicted (0.729751%)
linmin: converged after 5 iterations.
iteration 81: trace = 3.239916775785054 (0.720268% change)
linmin: converged after 6 iterations.
iteration 82: trace = 3.220325377463571 (0.606522% change)
linmin: converged after 4 iterations.
iteration 83: trace = 3.198541316604321 (0.678751% change)
linmin: converged after 4 iterations.
iteration 84: trace = 3.177521915924397 (0.659322% change)
linmin: converged after 5 iterations.
iteration 85: trace = 3.158689441282762 (0.59444% change)
linmin: converged after 4 iterations.
iteration 86: trace = 3.124351619672183 (1.09303% change)
linmin: converged after 4 iterations.
iteration 87: trace = 3.115938154199683 (0.26965% change)
large trace change predicted (0.80553%)
linmin: converged after 4 iterations.
iteration 88: trace = 3.091192470229429 (0.797331% change)
linmin: converged after 5 iterations.
iteration 89: trace = 3.081043078189253 (0.328872% change)
linmin: converged after 8 iterations.
iteration 90: trace = 3.068578063540339 (0.405391% change)
linmin: converged after 6 iterations.
iteration 91: trace = 3.058935697216242 (0.314724% change)
linmin: converged after 5 iterations.
iteration 92: trace = 3.05180850737605 (0.233267% change)
linmin: converged after 3 iterations.
iteration 93: trace = 3.039400873174168 (0.407395% change)
linmin: converged after 6 iterations.
iteration 94: trace = 3.036435748683464 (0.0976038% change)
large trace change predicted (0.289199%)
linmin: converged after 7 iterations.
iteration 95: trace = 3.027689317351538 (0.288465% change)
linmin: converged after 5 iterations.
iteration 96: trace = 3.025436115933095 (0.0744475% change)
linmin: converged after 5 iterations.
iteration 97: trace = 3.022123370988173 (0.109556% change)
linmin: converged after 8 iterations.
iteration 98: trace = 3.019557672499226 (0.0849333% change)
linmin: converged after 5 iterations.
iteration 99: trace = 3.017617454341009 (0.0642757% change)
large trace change predicted (0.199216%)
linmin: converged after 6 iterations.
iteration 100: trace = 3.011702812029835 (0.196196% change)
linmin: converged after 5 iterations.
iteration 101: trace = 3.008822242129416 (0.0956917% change)
large trace change predicted (0.494575%)
linmin: converged after 7 iterations.
iteration 102: trace = 2.993101363818678 (0.523861% change)
large trace change predicted (2.76676%)
linmin: converged after 11 iterations.
iteration 103: trace = 2.971607966586401 (0.720685% change)
linmin: converged after 6 iterations.
iteration 104: trace = 2.966426041934485 (0.174533% change)
linmin: converged after 7 iterations.
iteration 105: trace = 2.962576916432998 (0.129841% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.959663417317667 (0.0983918% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.957613910125768 (0.069272% change)
linmin: converged after 4 iterations.
iteration 108: trace = 2.956027948354737 (0.0536374% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.954446405928148 (0.0535166% change)
linmin: converged after 4 iterations.
iteration 110: trace = 2.952644656961998 (0.0610029% change)
linmin: converged after 7 iterations.
iteration 111: trace = 2.950800299587361 (0.0624841% change)
linmin: converged after 5 iterations.
iteration 112: trace = 2.949162275119235 (0.0555266% change)
linmin: converged after 5 iterations.
iteration 113: trace = 2.947680347043586 (0.0502617% change)
linmin: converged after 5 iterations.
iteration 114: trace = 2.946173844337002 (0.0511211% change)
linmin: converged after 4 iterations.
iteration 115: trace = 2.944665514272482 (0.0512093% change)
linmin: converged after 4 iterations.
iteration 116: trace = 2.943386753096056 (0.0434358% change)
linmin: converged after 8 iterations.
iteration 117: trace = 2.942362730441001 (0.0347967% change)
linmin: converged after 6 iterations.
iteration 118: trace = 2.941372078288963 (0.0336743% change)
linmin: converged after 6 iterations.
iteration 119: trace = 2.940246560501752 (0.0382724% change)
linmin: converged after 6 iterations.
iteration 120: trace = 2.939085641698362 (0.0394915% change)
linmin: converged after 6 iterations.
iteration 121: trace = 2.938048946889208 (0.0352789% change)
linmin: converged after 7 iterations.
iteration 122: trace = 2.937029634222545 (0.0346995% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.93578498323623 (0.0423869% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.934266526562438 (0.0517357% change)
linmin: converged after 4 iterations.
iteration 125: trace = 2.932753457184486 (0.0515788% change)
linmin: converged after 6 iterations.
iteration 126: trace = 2.931392951500543 (0.0464008% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.930045864154609 (0.0459644% change)
linmin: converged after 4 iterations.
iteration 128: trace = 2.928604937066982 (0.0491897% change)
linmin: converged after 4 iterations.
iteration 129: trace = 2.927186353523649 (0.0484506% change)
linmin: converged after 5 iterations.
iteration 130: trace = 2.92592607553319 (0.0430635% change)
linmin: converged after 7 iterations.
iteration 131: trace = 2.924738046286078 (0.0406118% change)
linmin: converged after 5 iterations.
iteration 132: trace = 2.923387162526266 (0.0461989% change)
linmin: converged after 4 iterations.
iteration 133: trace = 2.921694777691809 (0.057908% change)
linmin: converged after 4 iterations.
iteration 134: trace = 2.919767635225542 (0.0659815% change)
linmin: converged after 4 iterations.
iteration 135: trace = 2.917896313499875 (0.064112% change)
linmin: converged after 4 iterations.
iteration 136: trace = 2.91617931683536 (0.058861% change)
linmin: converged after 5 iterations.
iteration 137: trace = 2.914507630833452 (0.057341% change)
linmin: converged after 5 iterations.
iteration 138: trace = 2.912775780152054 (0.0594394% change)
linmin: converged after 5 iterations.
iteration 139: trace = 2.911010765359506 (0.060614% change)
resetting CG direction...
large trace change predicted (0.793722%)
linmin: converged after 4 iterations.
iteration 140: trace = 2.888445434845293 (0.778188% change)
large trace change predicted (2.41109%)
linmin: converged after 6 iterations.
iteration 141: trace = 2.824395301475856 (2.24232% change)
linmin: converged after 6 iterations.
iteration 142: trace = 2.788318376203819 (1.28554% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.760124165776621 (1.01629% change)
linmin: converged after 4 iterations.
iteration 144: trace = 2.747302232502843 (0.465623% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.742808570144592 (0.1637% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.736559669694309 (0.228088% change)
linmin: converged after 7 iterations.
iteration 147: trace = 2.734950084071833 (0.0588352% change)
linmin: converged after 10 iterations.
iteration 148: trace = 2.732082394813406 (0.104908% change)
linmin: converged after 5 iterations.
iteration 149: trace = 2.731340115523151 (0.0271727% change)
large trace change predicted (0.066467%)
linmin: converged after 7 iterations.
iteration 150: trace = 2.729522161691801 (0.0665812% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.72891463549496 (0.0222601% change)
linmin: converged after 4 iterations.
iteration 152: trace = 2.727938453189785 (0.0357782% change)
linmin: converged after 6 iterations.
iteration 153: trace = 2.727649314412402 (0.0105997% change)
large trace change predicted (0.0314719%)
linmin: converged after 5 iterations.
iteration 154: trace = 2.726791830859148 (0.0314417% change)
linmin: converged after 5 iterations.
iteration 155: trace = 2.726414202246866 (0.0138498% change)
large trace change predicted (0.0747307%)
linmin: converged after 4 iterations.
iteration 156: trace = 2.724395467475787 (0.074071% change)
linmin: converged after 4 iterations.
iteration 157: trace = 2.723687992722442 (0.0259715% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.722564479351532 (0.0412582% change)
linmin: converged after 6 iterations.
iteration 159: trace = 2.721742641544374 (0.0301907% change)
linmin: converged after 6 iterations.
iteration 160: trace = 2.720173117539718 (0.0576828% change)
linmin: converged after 4 iterations.
iteration 161: trace = 2.719126934528914 (0.0384676% change)
large trace change predicted (0.105576%)
linmin: converged after 4 iterations.
iteration 162: trace = 2.716260242702058 (0.105483% change)
linmin: converged after 5 iterations.
iteration 163: trace = 2.715293689117474 (0.0355903% change)
large trace change predicted (0.139385%)
linmin: converged after 4 iterations.
iteration 164: trace = 2.711486071436141 (0.140327% change)
linmin: converged after 4 iterations.
iteration 165: trace = 2.710549551642114 (0.034545% change)
large trace change predicted (0.088161%)
linmin: converged after 4 iterations.
iteration 166: trace = 2.708140625122256 (0.0889118% change)
linmin: converged after 7 iterations.
iteration 167: trace = 2.707016991616928 (0.0414996% change)
linmin: converged after 6 iterations.
iteration 168: trace = 2.705086517550507 (0.0713391% change)
linmin: converged after 6 iterations.
iteration 169: trace = 2.704249185579521 (0.0309588% change)
linmin: converged after 6 iterations.
iteration 170: trace = 2.70286697756975 (0.0511255% change)
linmin: converged after 6 iterations.
iteration 171: trace = 2.702314851114448 (0.0204295% change)
large trace change predicted (0.0431886%)
linmin: converged after 6 iterations.
iteration 172: trace = 2.701148865822604 (0.043157% change)
linmin: converged after 6 iterations.
iteration 173: trace = 2.700717737994567 (0.0159622% change)
linmin: converged after 5 iterations.
iteration 174: trace = 2.699926496369319 (0.0293017% change)
linmin: converged after 9 iterations.
iteration 175: trace = 2.699504711326707 (0.0156233% change)
linmin: converged after 4 iterations.
iteration 176: trace = 2.698895228285984 (0.0225801% change)
linmin: converged after 5 iterations.
iteration 177: trace = 2.69845248627361 (0.0164059% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.697993927855573 (0.0169948% change)
linmin: converged after 9 iterations.
iteration 179: trace = 2.697465798470492 (0.0195768% change)
linmin: converged after 4 iterations.
iteration 180: trace = 2.696665529696999 (0.0296718% change)
linmin: converged after 7 iterations.
iteration 181: trace = 2.696203637949456 (0.0171297% change)
large trace change predicted (0.0347105%)
linmin: converged after 5 iterations.
iteration 182: trace = 2.695266855519616 (0.0347505% change)
linmin: converged after 5 iterations.
iteration 183: trace = 2.694439958230504 (0.0306843% change)
large trace change predicted (0.0624104%)
linmin: converged after 9 iterations.
iteration 184: trace = 2.692752798118185 (0.062636% change)
linmin: converged after 8 iterations.
iteration 185: trace = 2.690742143608226 (0.074697% change)
linmin: converged after 5 iterations.
iteration 186: trace = 2.687553625591221 (0.11857% change)
linmin: converged after 10 iterations.
iteration 187: trace = 2.685786271118345 (0.0657823% change)
large trace change predicted (0.272422%)
linmin: converged after 5 iterations.
iteration 188: trace = 2.678469038850558 (0.272814% change)
linmin: converged after 5 iterations.
iteration 189: trace = 2.675875271270749 (0.0968846% change)
large trace change predicted (0.339205%)
linmin: converged after 4 iterations.
iteration 190: trace = 2.666749429302875 (0.341624% change)
linmin: converged after 5 iterations.
iteration 191: trace = 2.662935791754209 (0.143109% change)
linmin: converged after 5 iterations.
iteration 192: trace = 2.657097947243713 (0.219466% change)
linmin: converged after 5 iterations.
iteration 193: trace = 2.653500798862163 (0.135471% change)
linmin: converged after 6 iterations.
iteration 194: trace = 2.648519701485342 (0.187894% change)
linmin: converged after 4 iterations.
iteration 195: trace = 2.645319196327754 (0.120914% change)
linmin: converged after 4 iterations.
iteration 196: trace = 2.643049563980745 (0.0858349% change)
linmin: converged after 5 iterations.
iteration 197: trace = 2.639077161842874 (0.150409% change)
linmin: converged after 7 iterations.
iteration 198: trace = 2.637980234339716 (0.0415735% change)
large trace change predicted (0.120144%)
linmin: converged after 4 iterations.
iteration 199: trace = 2.634788372723134 (0.12107% change)
linmin: converged after 5 iterations.
iteration 200: trace = 2.633992269155724 (0.0302197% change)
large trace change predicted (0.0843001%)
linmin: converged after 3 iterations.
iteration 201: trace = 2.631753617625737 (0.0850269% change)
linmin: converged after 6 iterations.
iteration 202: trace = 2.630651895620766 (0.0418714% change)
large trace change predicted (0.0971038%)
linmin: converged after 9 iterations.
iteration 203: trace = 2.628077536137525 (0.097908% change)
linmin: converged after 4 iterations.
iteration 204: trace = 2.626793183488546 (0.0488824% change)
large trace change predicted (0.142943%)
linmin: converged after 3 iterations.
iteration 205: trace = 2.622986080692303 (0.145039% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.621383996907963 (0.0610973% change)
large trace change predicted (0.232967%)
linmin: converged after 4 iterations.
iteration 207: trace = 2.615139473869272 (0.238499% change)
linmin: converged after 3 iterations.
iteration 208: trace = 2.612611956167025 (0.0966962% change)
large trace change predicted (0.273615%)
linmin: converged after 4 iterations.
iteration 209: trace = 2.605294546018591 (0.280473% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 210: trace = 2.602501639585325 (0.107259% change)
linmin: converged after 4 iterations.
iteration 211: trace = 2.598226783311826 (0.164395% change)
linmin: converged after 4 iterations.
iteration 212: trace = 2.595438442445011 (0.107375% change)
linmin: converged after 4 iterations.
iteration 213: trace = 2.593716854831667 (0.0663533% change)
large trace change predicted (0.153318%)
linmin: converged after 4 iterations.
iteration 214: trace = 2.589741715718366 (0.153378% change)
linmin: converged after 5 iterations.
iteration 215: trace = 2.588707419123327 (0.0399462% change)
large trace change predicted (0.210518%)
linmin: converged after 6 iterations.
iteration 216: trace = 2.583253193893322 (0.210915% change)
linmin: converged after 9 iterations.
iteration 217: trace = 2.581730199574025 (0.0589738% change)
large trace change predicted (0.133263%)
linmin: converged after 5 iterations.
iteration 218: trace = 2.578286680822565 (0.133469% change)
linmin: converged after 7 iterations.
iteration 219: trace = 2.575897179422247 (0.0927208% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.572968263562473 (0.113769% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.568394298969082 (0.177928% change)
linmin: converged after 7 iterations.
iteration 222: trace = 2.565762350762913 (0.102527% change)
large trace change predicted (0.271659%)
linmin: converged after 3 iterations.
iteration 223: trace = 2.558743056249501 (0.27395% change)
linmin: converged after 4 iterations.
iteration 224: trace = 2.555855356893964 (0.11292% change)
large trace change predicted (0.383531%)
linmin: converged after 4 iterations.
iteration 225: trace = 2.545964046426559 (0.387756% change)
linmin: converged after 4 iterations.
iteration 226: trace = 2.542272455031843 (0.145103% change)
large trace change predicted (0.357961%)
linmin: converged after 3 iterations.
iteration 227: trace = 2.533094064316798 (0.361684% change)
linmin: converged after 4 iterations.
iteration 228: trace = 2.529281986486796 (0.150604% change)
large trace change predicted (0.341752%)
linmin: converged after 3 iterations.
iteration 229: trace = 2.520565177206163 (0.345231% change)
linmin: converged after 5 iterations.
iteration 230: trace = 2.518048803871747 (0.0998836% change)
large trace change predicted (0.265439%)
linmin: converged after 4 iterations.
iteration 231: trace = 2.511316892458201 (0.267704% change)
linmin: converged after 7 iterations.
iteration 232: trace = 2.510042722318929 (0.05075% change)
large trace change predicted (0.139546%)
linmin: converged after 3 iterations.
iteration 233: trace = 2.50652768321382 (0.140137% change)
linmin: converged after 6 iterations.
iteration 234: trace = 2.50570701660063 (0.0327465% change)
large trace change predicted (0.0895116%)
linmin: converged after 6 iterations.
iteration 235: trace = 2.503462764984659 (0.0896057% change)
linmin: converged after 5 iterations.
iteration 236: trace = 2.502020878554722 (0.0576123% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.499357133046416 (0.10652% change)
linmin: converged after 4 iterations.
iteration 238: trace = 2.498060229272503 (0.051903% change)
large trace change predicted (0.134377%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.494680578926055 (0.135383% change)
linmin: converged after 3 iterations.
iteration 240: trace = 2.492784206177824 (0.0760456% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.489548510931036 (0.129887% change)
linmin: converged after 3 iterations.
iteration 242: trace = 2.485323205274456 (0.169866% change)
linmin: converged after 4 iterations.
iteration 243: trace = 2.483243378713432 (0.0837194% change)
large trace change predicted (0.199061%)
linmin: converged after 3 iterations.
iteration 244: trace = 2.478260870991282 (0.200847% change)
linmin: converged after 8 iterations.
iteration 245: trace = 2.476663235827183 (0.0644868% change)
large trace change predicted (0.23638%)
linmin: converged after 3 iterations.
iteration 246: trace = 2.470771800393848 (0.238161% change)
linmin: converged after 4 iterations.
iteration 247: trace = 2.467263022187214 (0.142112% change)
linmin: converged after 4 iterations.
iteration 248: trace = 2.463512827262804 (0.152114% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.460173715285887 (0.135635% change)
linmin: converged after 4 iterations.
iteration 250: trace = 2.458464637430362 (0.0694939% change)
large trace change predicted (0.161944%)
linmin: converged after 3 iterations.
iteration 251: trace = 2.454447849151615 (0.16352% change)
linmin: converged after 4 iterations.
iteration 252: trace = 2.452898905318962 (0.0631275% change)
large trace change predicted (0.134015%)
linmin: converged after 3 iterations.
iteration 253: trace = 2.449577914497606 (0.135482% change)
linmin: converged after 3 iterations.
iteration 254: trace = 2.448630132296462 (0.0386991% change)
linmin: converged after 4 iterations.
iteration 255: trace = 2.447792953309919 (0.0341955% change)
linmin: converged after 4 iterations.
iteration 256: trace = 2.447309279190399 (0.0197616% change)
linmin: converged after 5 iterations.
iteration 257: trace = 2.447075084348053 (0.00956994% change)
large trace change predicted (0.0198404%)
linmin: converged after 3 iterations.
iteration 258: trace = 2.446589451158328 (0.0198474% change)
linmin: converged after 5 iterations.
iteration 259: trace = 2.44643885622507 (0.00615549% change)
large trace change predicted (0.0328875%)
linmin: converged after 3 iterations.
iteration 260: trace = 2.445633996009991 (0.0329047% change)
linmin: converged after 6 iterations.
iteration 261: trace = 2.445318466412624 (0.0129026% change)
large trace change predicted (0.0608575%)
linmin: converged after 3 iterations.
iteration 262: trace = 2.443826921509546 (0.0610145% change)
linmin: converged after 8 iterations.
iteration 263: trace = 2.442960129708474 (0.0354749% change)
large trace change predicted (0.0929087%)
linmin: converged after 3 iterations.
iteration 264: trace = 2.440675969398874 (0.0935434% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.439708508065579 (0.0396469% change)
large trace change predicted (0.147496%)
linmin: converged after 3 iterations.
iteration 266: trace = 2.436077919336658 (0.148923% change)
linmin: converged after 7 iterations.
iteration 267: trace = 2.434989871206461 (0.0446739% change)
large trace change predicted (0.13501%)
linmin: converged after 3 iterations.
iteration 268: trace = 2.431673039558048 (0.136308% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.430791547543352 (0.036257% change)
large trace change predicted (0.0924884%)
linmin: converged after 3 iterations.
iteration 270: trace = 2.428532709530431 (0.0929692% change)
linmin: converged after 4 iterations.
iteration 271: trace = 2.428080183817308 (0.0186354% change)
linmin: converged after 3 iterations.
iteration 272: trace = 2.427352276899583 (0.0299832% change)
linmin: converged after 5 iterations.
iteration 273: trace = 2.427093882290142 (0.0106457% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.426602493386211 (0.020248% change)
linmin: converged after 5 iterations.
iteration 275: trace = 2.426458650763427 (0.00592791% change)
large trace change predicted (0.0145955%)
linmin: converged after 3 iterations.
iteration 276: trace = 2.42610420864135 (0.0146085% change)
linmin: converged after 9 iterations.
iteration 277: trace = 2.426001026018845 (0.00425311% change)
large trace change predicted (0.0130293%)
linmin: converged after 4 iterations.
iteration 278: trace = 2.425684744039484 (0.013038% change)
linmin: converged after 4 iterations.
iteration 279: trace = 2.425547908904644 (0.00564125% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 280: trace = 2.425456432332552 (0.00377145% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.425329023523761 (0.00525312% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.425209263141928 (0.00493802% change)
linmin: converged after 5 iterations.
iteration 283: trace = 2.425139361694731 (0.00288233% change)
large trace change predicted (0.0101575%)
linmin: converged after 4 iterations.
iteration 284: trace = 2.424892873652419 (0.0101644% change)
linmin: converged after 4 iterations.
iteration 285: trace = 2.424794217343377 (0.00406856% change)
large trace change predicted (0.0152137%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.424425233233391 (0.0152183% change)
linmin: converged after 4 iterations.
iteration 287: trace = 2.423886327780014 (0.0222306% change)
linmin: converged after 5 iterations.
iteration 288: trace = 2.423609126297221 (0.0114369% change)
large trace change predicted (0.0278068%)
linmin: converged after 3 iterations.
iteration 289: trace = 2.422934176240295 (0.0278528% change)
linmin: converged after 7 iterations.
iteration 290: trace = 2.422182661303272 (0.0310215% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.421816113520184 (0.0151341% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.421092952299891 (0.0298647% change)
linmin: converged after 8 iterations.
iteration 293: trace = 2.420928853410942 (0.00677811% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.420614966273286 (0.0129664% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.420423391102427 (0.00791463% change)
linmin: converged after 4 iterations.
iteration 296: trace = 2.420351654383627 (0.00296385% change)
linmin: converged after 4 iterations.
iteration 297: trace = 2.420227943006071 (0.00511143% change)
linmin: converged after 4 iterations.
iteration 298: trace = 2.420056192437012 (0.00709671% change)
linmin: converged after 5 iterations.
iteration 299: trace = 2.41997922460286 (0.00318047% change)
large trace change predicted (0.00933409%)
linmin: converged after 4 iterations.
iteration 300: trace = 2.419753538390246 (0.00932639% change)
linmin: converged after 5 iterations.
iteration 301: trace = 2.419685427916214 (0.00281481% change)
large trace change predicted (0.00607762%)
linmin: converged after 8 iterations.
iteration 302: trace = 2.419538451023052 (0.0060744% change)
linmin: converged after 6 iterations.
iteration 303: trace = 2.419396855475916 (0.00585234% change)
linmin: converged after 4 iterations.
iteration 304: trace = 2.419347300034381 (0.00204828% change)
large trace change predicted (0.00847111%)
linmin: converged after 6 iterations.
iteration 305: trace = 2.419142483385138 (0.00846614% change)
linmin: converged after 7 iterations.
iteration 306: trace = 2.419070004982281 (0.00299608% change)
large trace change predicted (0.0116725%)
linmin: converged after 5 iterations.
iteration 307: trace = 2.418787686606084 (0.0116712% change)
linmin: converged after 6 iterations.
iteration 308: trace = 2.418489990653812 (0.0123084% change)
linmin: converged after 5 iterations.
iteration 309: trace = 2.418281992445798 (0.0086007% change)
large trace change predicted (0.0215931%)
linmin: converged after 6 iterations.
iteration 310: trace = 2.417760276407096 (0.0215762% change)
linmin: converged after 5 iterations.
iteration 311: trace = 2.417435188649911 (0.0134467% change)
linmin: converged after 6 iterations.
iteration 312: trace = 2.416805750619196 (0.0260408% change)
linmin: converged after 7 iterations.
iteration 313: trace = 2.416320700337448 (0.0200719% change)
linmin: converged after 5 iterations.
iteration 314: trace = 2.416241788340399 (0.00326584% change)
large trace change predicted (0.00695951%)
linmin: converged after 4 iterations.
iteration 315: trace = 2.416073670003391 (0.00695809% change)
linmin: converged after 6 iterations.
iteration 316: trace = 2.41601284513149 (0.00251754% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.415961263335417 (0.00213502% change)
large trace change predicted (0.0043315%)
linmin: converged after 7 iterations.
iteration 318: trace = 2.415856617529764 (0.00433153% change)
linmin: converged after 5 iterations.
iteration 319: trace = 2.415830097387928 (0.00109776% change)
large trace change predicted (0.00369501%)
linmin: converged after 5 iterations.
iteration 320: trace = 2.415740854367253 (0.00369416% change)
linmin: converged after 5 iterations.
iteration 321: trace = 2.415707298352126 (0.00138907% change)
large trace change predicted (0.00444085%)
linmin: converged after 3 iterations.
iteration 322: trace = 2.415600078669746 (0.00443854% change)
linmin: converged after 5 iterations.
iteration 323: trace = 2.415491021179368 (0.00451482% change)
linmin: converged after 5 iterations.
iteration 324: trace = 2.415410490161924 (0.003334% change)
linmin: converged after 4 iterations.
iteration 325: trace = 2.415254944952951 (0.00643991% change)
linmin: converged after 4 iterations.
iteration 326: trace = 2.415046129890972 (0.00864605% change)
linmin: converged after 3 iterations.
iteration 327: trace = 2.414972277783549 (0.00305805% change)
large trace change predicted (0.00705234%)
linmin: converged after 4 iterations.
iteration 328: trace = 2.41480187476109 (0.00705636% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.414693138410026 (0.00450301% change)
linmin: converged after 4 iterations.
iteration 330: trace = 2.414626182250977 (0.0027729% change)
large trace change predicted (0.00596213%)
linmin: converged after 5 iterations.
iteration 331: trace = 2.41448221362451 (0.00596253% change)
linmin: converged after 4 iterations.
iteration 332: trace = 2.414448144180044 (0.00141106% change)
large trace change predicted (0.00381542%)
linmin: converged after 3 iterations.
iteration 333: trace = 2.414356026994811 (0.00381532% change)
linmin: converged after 4 iterations.
iteration 334: trace = 2.414292217436085 (0.00264296% change)
linmin: converged after 6 iterations.
iteration 335: trace = 2.414274976961073 (0.000714103% change)
linmin: converged after 5 iterations.
iteration 336: trace = 2.41424749585838 (0.00113828% change)
linmin: converged after 5 iterations.
iteration 337: trace = 2.414228923824201 (0.000769271% change)
linmin: converged after 5 iterations.
iteration 338: trace = 2.414219112327275 (0.000406404% change)
large trace change predicted (0.00175654%)
linmin: converged after 5 iterations.
iteration 339: trace = 2.414176701400069 (0.00175673% change)
linmin: converged after 5 iterations.
iteration 340: trace = 2.414164289373766 (0.000514132% change)
large trace change predicted (0.00362285%)
linmin: converged after 3 iterations.
iteration 341: trace = 2.414076812566992 (0.00362355% change)
linmin: converged after 5 iterations.
iteration 342: trace = 2.41393565185639 (0.00584757% change)
linmin: converged after 5 iterations.
iteration 343: trace = 2.413841194268387 (0.00391309% change)
large trace change predicted (0.0112809%)
linmin: converged after 4 iterations.
iteration 344: trace = 2.413568614311757 (0.011293% change)
linmin: converged after 5 iterations.
iteration 345: trace = 2.413477319728524 (0.00378263% change)
large trace change predicted (0.0111679%)
linmin: converged after 3 iterations.
iteration 346: trace = 2.413207365570949 (0.0111859% change)
linmin: converged after 5 iterations.
iteration 347: trace = 2.413070580848645 (0.00566833% change)
linmin: converged after 5 iterations.
iteration 348: trace = 2.413030384099815 (0.00166581% change)
linmin: converged after 3 iterations.
iteration 349: trace = 2.412977344368873 (0.00219808% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 350: trace = 2.412958092376421 (0.000797855% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.412944186537388 (0.0005763% change)
large trace change predicted (0.00115838%)
linmin: converged after 5 iterations.
iteration 352: trace = 2.412916241354624 (0.00115814% change)
linmin: converged after 5 iterations.
iteration 353: trace = 2.412898546131054 (0.000733357% change)
linmin: converged after 4 iterations.
iteration 354: trace = 2.41286590797486 (0.00135266% change)
linmin: converged after 5 iterations.
iteration 355: trace = 2.412838275273388 (0.00114523% change)
linmin: converged after 8 iterations.
iteration 356: trace = 2.412819378003956 (0.0007832% change)
linmin: converged after 12 iterations.
iteration 357: trace = 2.412787122255042 (0.00133686% change)
linmin: converged after 5 iterations.
iteration 358: trace = 2.412779151682144 (0.000330348% change)
large trace change predicted (0.00077371%)
linmin: converged after 4 iterations.
iteration 359: trace = 2.412760484552215 (0.000773681% change)
linmin: converged after 5 iterations.
iteration 360: trace = 2.412735338182783 (0.00104223% change)
linmin: converged after 7 iterations.
iteration 361: trace = 2.4127183686781 (0.000703333% change)
large trace change predicted (0.00185915%)
linmin: converged after 6 iterations.
iteration 362: trace = 2.412673508075089 (0.00185936% change)
linmin: converged after 5 iterations.
iteration 363: trace = 2.412653995667547 (0.00080875% change)
large trace change predicted (0.00290444%)
linmin: converged after 3 iterations.
iteration 364: trace = 2.412583932793069 (0.00290402% change)
linmin: converged after 5 iterations.
iteration 365: trace = 2.412548947115566 (0.00145014% change)
large trace change predicted (0.00300818%)
linmin: converged after 4 iterations.
iteration 366: trace = 2.412476403188062 (0.00300699% change)
linmin: converged after 3 iterations.
iteration 367: trace = 2.412401118052748 (0.00312071% change)
linmin: converged after 5 iterations.
iteration 368: trace = 2.412370979376927 (0.00124933% change)
large trace change predicted (0.00294526%)
linmin: converged after 5 iterations.
iteration 369: trace = 2.412299940811616 (0.0029448% change)
linmin: converged after 5 iterations.
iteration 370: trace = 2.412281881316058 (0.000748645% change)
linmin: converged after 5 iterations.
iteration 371: trace = 2.412248577538592 (0.0013806% change)
linmin: converged after 5 iterations.
iteration 372: trace = 2.41223860759855 (0.000413306% change)
linmin: converged after 6 iterations.
iteration 373: trace = 2.412231359508706 (0.000300472% change)
linmin: converged after 6 iterations.
iteration 374: trace = 2.41222132841783 (0.000415844% change)
linmin: converged after 5 iterations.
iteration 375: trace = 2.412216242942324 (0.000210821% change)
large trace change predicted (0.00072922%)
linmin: converged after 5 iterations.
iteration 376: trace = 2.412198649038367 (0.000729369% change)
linmin: converged after 4 iterations.
iteration 377: trace = 2.412178949939009 (0.000816648% change)
linmin: converged after 5 iterations.
iteration 378: trace = 2.41214855897637 (0.0012599% change)
linmin: converged after 4 iterations.
iteration 379: trace = 2.412104053526888 (0.00184507% change)
linmin: converged after 3 iterations.
iteration 380: trace = 2.412080240623456 (0.00098723% change)
large trace change predicted (0.00246305%)
linmin: converged after 6 iterations.
iteration 381: trace = 2.412020807051376 (0.00246403% change)
linmin: converged after 15 iterations.
iteration 382: trace = 2.411973698873427 (0.00195308% change)
linmin: converged after 4 iterations.
iteration 383: trace = 2.411903871828019 (0.00289506% change)
linmin: converged after 5 iterations.
iteration 384: trace = 2.411801156507217 (0.00425877% change)
linmin: converged after 6 iterations.
iteration 385: trace = 2.411731816763695 (0.00287506% change)
linmin: converged after 3 iterations.
iteration 386: trace = 2.411598310239355 (0.00553587% change)
linmin: converged after 4 iterations.
iteration 387: trace = 2.411529071867097 (0.0028711% change)
large trace change predicted (0.00740489%)
linmin: converged after 5 iterations.
iteration 388: trace = 2.411350480844088 (0.00740599% change)
linmin: converged after 4 iterations.
iteration 389: trace = 2.411233800911248 (0.0048389% change)
linmin: converged after 5 iterations.
iteration 390: trace = 2.411160048038394 (0.00305877% change)
linmin: converged after 4 iterations.
iteration 391: trace = 2.411071925929188 (0.00365483% change)
linmin: converged after 5 iterations.
iteration 392: trace = 2.411050622414977 (0.000883574% change)
linmin: converged after 3 iterations.
iteration 393: trace = 2.41101385150018 (0.00152511% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.410997394176545 (0.000682592% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.410977271535709 (0.000834622% change)
linmin: converged after 5 iterations.
iteration 396: trace = 2.410937309307222 (0.00165753% change)
linmin: converged after 5 iterations.
iteration 397: trace = 2.410918125106366 (0.000795719% change)
large trace change predicted (0.00311544%)
linmin: converged after 6 iterations.
iteration 398: trace = 2.410842986991483 (0.00311663% change)
linmin: converged after 5 iterations.
iteration 399: trace = 2.41080973393768 (0.00137932% change)
large trace change predicted (0.00291%)
linmin: converged after 5 iterations.
iteration 400: trace = 2.410739532115938 (0.002912% change)
linmin: converged after 5 iterations.
iteration 401: trace = 2.410664669274483 (0.00310544% change)
linmin: converged after 5 iterations.
iteration 402: trace = 2.410552887049915 (0.0046371% change)
linmin: converged after 4 iterations.
iteration 403: trace = 2.410349498574735 (0.00843778% change)
linmin: converged after 5 iterations.
iteration 404: trace = 2.410247467713317 (0.00423312% change)
linmin: converged after 6 iterations.
iteration 405: trace = 2.410109779272211 (0.00571279% change)
linmin: converged after 5 iterations.
iteration 406: trace = 2.410046036568734 (0.00264484% change)
linmin: converged after 5 iterations.
iteration 407: trace = 2.409960070641615 (0.00356705% change)
linmin: converged after 4 iterations.
iteration 408: trace = 2.409900657652954 (0.00246534% change)
linmin: converged after 4 iterations.
iteration 409: trace = 2.4098448769595 (0.00231467% change)
linmin: converged after 5 iterations.
iteration 410: trace = 2.409765691820529 (0.00328596% change)
linmin: converged after 5 iterations.
iteration 411: trace = 2.40972606929655 (0.00164426% change)
linmin: converged after 5 iterations.
iteration 412: trace = 2.409650066208098 (0.00315406% change)
linmin: converged after 8 iterations.
iteration 413: trace = 2.409606293325892 (0.00181658% change)
linmin: converged after 5 iterations.
iteration 414: trace = 2.409534386414847 (0.00298422% change)
linmin: converged after 5 iterations.
iteration 415: trace = 2.409470165137451 (0.00266533% change)
linmin: converged after 5 iterations.
iteration 416: trace = 2.409437705109584 (0.00134719% change)
linmin: converged after 5 iterations.
iteration 417: trace = 2.409387052082649 (0.0021023% change)
linmin: converged after 8 iterations.
iteration 418: trace = 2.409366453536216 (0.000854933% change)
large trace change predicted (0.0022058%)
linmin: converged after 5 iterations.
iteration 419: trace = 2.409313296913291 (0.00220627% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 420: trace = 2.409287425703921 (0.00107381% change)
linmin: converged after 5 iterations.
iteration 421: trace = 2.409267190493871 (0.000839887% change)
large trace change predicted (0.00196727%)
linmin: converged after 6 iterations.
iteration 422: trace = 2.409219801679697 (0.00196696% change)
linmin: converged after 5 iterations.
iteration 423: trace = 2.409204193177113 (0.000647868% change)
large trace change predicted (0.00309081%)
linmin: converged after 4 iterations.
iteration 424: trace = 2.40912975131398 (0.00308994% change)
linmin: converged after 4 iterations.
iteration 425: trace = 2.409087094882162 (0.00177063% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.409046497537967 (0.00168519% change)
linmin: converged after 5 iterations.
iteration 427: trace = 2.408980518253521 (0.00273885% change)
linmin: converged after 4 iterations.
iteration 428: trace = 2.408951597724842 (0.00120054% change)
linmin: converged after 5 iterations.
iteration 429: trace = 2.408911712310085 (0.00165573% change)
linmin: converged after 5 iterations.
iteration 430: trace = 2.408857624651632 (0.00224534% change)
linmin: converged after 5 iterations.
iteration 431: trace = 2.408833758688919 (0.000990763% change)
large trace change predicted (0.00345919%)
linmin: converged after 5 iterations.
iteration 432: trace = 2.408750489844308 (0.00345687% change)
linmin: converged after 4 iterations.
iteration 433: trace = 2.408723882556862 (0.00110462% change)
large trace change predicted (0.00323725%)
linmin: converged after 3 iterations.
iteration 434: trace = 2.408645956803237 (0.0032352% change)
linmin: converged after 3 iterations.
iteration 435: trace = 2.40855904776062 (0.00360828% change)
linmin: converged after 7 iterations.
iteration 436: trace = 2.40852618076087 (0.0013646% change)
large trace change predicted (0.00364536%)
linmin: converged after 3 iterations.
iteration 437: trace = 2.408438436829843 (0.00364312% change)
linmin: converged after 5 iterations.
iteration 438: trace = 2.408395811469374 (0.00176985% change)
linmin: converged after 5 iterations.
iteration 439: trace = 2.408354438275061 (0.00171789% change)
linmin: converged after 5 iterations.
iteration 440: trace = 2.408324265818377 (0.00125283% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.40831169627634 (0.000521922% change)
linmin: converged after 3 iterations.
iteration 442: trace = 2.40829053587938 (0.000878644% change)
linmin: converged after 5 iterations.
iteration 443: trace = 2.408267955796463 (0.000937602% change)
linmin: converged after 5 iterations.
iteration 444: trace = 2.408251629156538 (0.000677943% change)
large trace change predicted (0.00177254%)
linmin: converged after 4 iterations.
iteration 445: trace = 2.408208935315483 (0.00177283% change)
linmin: converged after 10 iterations.
iteration 446: trace = 2.408188852947106 (0.000833917% change)
large trace change predicted (0.00302169%)
linmin: converged after 6 iterations.
iteration 447: trace = 2.408116129935441 (0.00301987% change)
linmin: converged after 7 iterations.
iteration 448: trace = 2.40804441074114 (0.00297827% change)
linmin: converged after 4 iterations.
iteration 449: trace = 2.407969059358527 (0.0031292% change)
linmin: converged after 6 iterations.
iteration 450: trace = 2.40783290126076 (0.00565464% change)
linmin: converged after 4 iterations.
iteration 451: trace = 2.407787768231651 (0.00187444% change)
large trace change predicted (0.00463887%)
linmin: converged after 5 iterations.
iteration 452: trace = 2.407676120668092 (0.00463704% change)
linmin: converged after 4 iterations.
iteration 453: trace = 2.407607314357823 (0.00285783% change)
linmin: converged after 3 iterations.
iteration 454: trace = 2.407564823508349 (0.00176487% change)
linmin: converged after 4 iterations.
iteration 455: trace = 2.407513187509442 (0.00214476% change)
linmin: converged after 5 iterations.
iteration 456: trace = 2.40749394583152 (0.000799238% change)
linmin: converged after 4 iterations.
iteration 457: trace = 2.407465317183599 (0.00118915% change)
linmin: converged after 5 iterations.
iteration 458: trace = 2.407435285463889 (0.00124745% change)
linmin: converged after 5 iterations.
iteration 459: trace = 2.407421231867624 (0.00058376% change)
linmin: converged after 5 iterations.
iteration 460: trace = 2.40739663858308 (0.00102157% change)
linmin: converged after 8 iterations.
iteration 461: trace = 2.407391869825743 (0.000198088% change)
large trace change predicted (0.000405187%)
linmin: converged after 4 iterations.
iteration 462: trace = 2.407382117554732 (0.000405098% change)
linmin: converged after 5 iterations.
iteration 463: trace = 2.407371988739161 (0.000420741% change)
linmin: converged after 6 iterations.
iteration 464: trace = 2.407368323197194 (0.000152263% change)
large trace change predicted (0.000819017%)
linmin: converged after 5 iterations.
iteration 465: trace = 2.407348608001826 (0.000818956% change)
linmin: converged after 5 iterations.
iteration 466: trace = 2.407320938714247 (0.00114937% change)
linmin: converged after 10 iterations.
iteration 467: trace = 2.407297733660633 (0.000963941% change)
large trace change predicted (0.00228594%)
linmin: converged after 5 iterations.
iteration 468: trace = 2.407242723373789 (0.00228517% change)
linmin: converged after 8 iterations.
iteration 469: trace = 2.40720654781344 (0.00150279% change)
linmin: converged after 5 iterations.
iteration 470: trace = 2.407146306511494 (0.00250257% change)
linmin: converged after 5 iterations.
iteration 471: trace = 2.407082264152309 (0.00266055% change)
linmin: converged after 5 iterations.
iteration 472: trace = 2.407055848581008 (0.00109742% change)
large trace change predicted (0.00355969%)
linmin: converged after 5 iterations.
iteration 473: trace = 2.406970224177726 (0.00355729% change)
linmin: converged after 8 iterations.
iteration 474: trace = 2.406956562906117 (0.000567573% change)
large trace change predicted (0.0017044%)
linmin: converged after 3 iterations.
iteration 475: trace = 2.406915548994534 (0.00170399% change)
linmin: converged after 7 iterations.
iteration 476: trace = 2.406896101819472 (0.000807974% change)
linmin: converged after 7 iterations.
iteration 477: trace = 2.406882530887512 (0.000563837% change)
linmin: converged after 6 iterations.
iteration 478: trace = 2.406855988103139 (0.00110279% change)
linmin: converged after 7 iterations.
iteration 479: trace = 2.406843128840322 (0.000534278% change)
large trace change predicted (0.00111275%)
linmin: converged after 5 iterations.
iteration 480: trace = 2.406816356440344 (0.00111235% change)
linmin: converged after 9 iterations.
iteration 481: trace = 2.40679921446282 (0.000712229% change)
linmin: converged after 4 iterations.
iteration 482: trace = 2.406787672923606 (0.00047954% change)
linmin: converged after 5 iterations.
iteration 483: trace = 2.406766457621487 (0.000881482% change)
linmin: converged after 6 iterations.
iteration 484: trace = 2.40675655400014 (0.000411492% change)
linmin: converged after 4 iterations.
iteration 485: trace = 2.406743704842799 (0.00053388% change)
linmin: converged after 8 iterations.
iteration 486: trace = 2.406726019593901 (0.000734823% change)
linmin: converged after 5 iterations.
iteration 487: trace = 2.406709523673084 (0.000685412% change)
large trace change predicted (0.00224017%)
linmin: converged after 3 iterations.
iteration 488: trace = 2.406655634442125 (0.00223915% change)
linmin: converged after 5 iterations.
iteration 489: trace = 2.406607921499178 (0.00198256% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 490: trace = 2.406577353469841 (0.00127018% change)
linmin: converged after 3 iterations.
iteration 491: trace = 2.406535606840011 (0.0017347% change)
linmin: converged after 5 iterations.
iteration 492: trace = 2.406515557267451 (0.000833134% change)
linmin: converged after 5 iterations.
iteration 493: trace = 2.406494854422019 (0.000860287% change)
linmin: converged after 5 iterations.
iteration 494: trace = 2.40648216873415 (0.000527145% change)
linmin: converged after 4 iterations.
iteration 495: trace = 2.406469747133563 (0.000516174% change)
linmin: converged after 3 iterations.
iteration 496: trace = 2.406458604675681 (0.000463022% change)
linmin: converged after 5 iterations.
iteration 497: trace = 2.40644924364477 (0.000388997% change)
linmin: converged after 5 iterations.
iteration 498: trace = 2.406436362949932 (0.000535259% change)
linmin: converged after 5 iterations.
iteration 499: trace = 2.406425912722062 (0.000434262% change)
linmin: converged after 8 iterations.
iteration 500: trace = 2.406408206195094 (0.000735805% change)
linmin: converged after 5 iterations.
iteration 501: trace = 2.406399831903613 (0.000348% change)
large trace change predicted (0.00102533%)
linmin: converged after 4 iterations.
iteration 502: trace = 2.406375162572453 (0.00102516% change)
linmin: converged after 6 iterations.
iteration 503: trace = 2.406368754749756 (0.000266286% change)
large trace change predicted (0.000956394%)
linmin: converged after 6 iterations.
iteration 504: trace = 2.40634574424264 (0.000956238% change)
linmin: converged after 5 iterations.
iteration 505: trace = 2.40633634165313 (0.000390742% change)
large trace change predicted (0.00104053%)
linmin: converged after 7 iterations.
iteration 506: trace = 2.406311303663279 (0.00104051% change)
linmin: converged after 3 iterations.
iteration 507: trace = 2.406282012293107 (0.00121728% change)
linmin: converged after 6 iterations.
iteration 508: trace = 2.406252394795445 (0.00123085% change)
large trace change predicted (0.00287277%)
linmin: converged after 3 iterations.
iteration 509: trace = 2.406183275736447 (0.00287252% change)
linmin: converged after 5 iterations.
iteration 510: trace = 2.406167799963178 (0.000643169% change)
large trace change predicted (0.00310487%)
linmin: converged after 3 iterations.
iteration 511: trace = 2.406093092633135 (0.00310487% change)
linmin: converged after 6 iterations.
iteration 512: trace = 2.40606550935689 (0.0011464% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.406030763884062 (0.00144409% change)
linmin: converged after 5 iterations.
iteration 514: trace = 2.405985200000722 (0.00189375% change)
linmin: converged after 6 iterations.
iteration 515: trace = 2.405977083049585 (0.000337366% change)
large trace change predicted (0.000846986%)
linmin: converged after 5 iterations.
iteration 516: trace = 2.405956703960279 (0.000847023% change)
linmin: converged after 5 iterations.
iteration 517: trace = 2.405948889548555 (0.000324795% change)
linmin: converged after 4 iterations.
iteration 518: trace = 2.405942061190459 (0.000283812% change)
linmin: converged after 6 iterations.
iteration 519: trace = 2.405932907864458 (0.000380447% change)
linmin: converged after 4 iterations.
iteration 520: trace = 2.405927320727572 (0.000232224% change)
large trace change predicted (0.000801157%)
linmin: converged after 3 iterations.
iteration 521: trace = 2.405908049116966 (0.000801009% change)
linmin: converged after 3 iterations.
iteration 522: trace = 2.405888764793276 (0.000801544% change)
linmin: converged after 5 iterations.
iteration 523: trace = 2.405870443131441 (0.000761537% change)
large trace change predicted (0.00173729%)
linmin: converged after 5 iterations.
iteration 524: trace = 2.405828663686648 (0.00173658% change)
linmin: converged after 3 iterations.
iteration 525: trace = 2.405806952981375 (0.000902425% change)
large trace change predicted (0.00211944%)
linmin: converged after 5 iterations.
iteration 526: trace = 2.405755987820135 (0.00211845% change)
linmin: converged after 4 iterations.
iteration 527: trace = 2.405709075327722 (0.00195003% change)
linmin: converged after 8 iterations.
iteration 528: trace = 2.405669623857619 (0.00163992% change)
large trace change predicted (0.00463582%)
linmin: converged after 5 iterations.
iteration 529: trace = 2.405558119950058 (0.00463515% change)
linmin: converged after 5 iterations.
iteration 530: trace = 2.405513842306455 (0.00184066% change)
large trace change predicted (0.00507465%)
linmin: converged after 3 iterations.
iteration 531: trace = 2.405391805640254 (0.00507333% change)
linmin: converged after 5 iterations.
iteration 532: trace = 2.405302776466054 (0.0037013% change)
linmin: converged after 6 iterations.
iteration 533: trace = 2.405225670469314 (0.00320572% change)
linmin: converged after 5 iterations.
iteration 534: trace = 2.405125384558691 (0.00416959% change)
linmin: converged after 4 iterations.
iteration 535: trace = 2.405094607781826 (0.00127964% change)
large trace change predicted (0.00304987%)
linmin: converged after 9 iterations.
iteration 536: trace = 2.405021257228067 (0.00304985% change)
linmin: converged after 4 iterations.
iteration 537: trace = 2.405009384037696 (0.000493685% change)
large trace change predicted (0.00132184%)
linmin: converged after 4 iterations.
iteration 538: trace = 2.404977586892497 (0.00132213% change)
linmin: converged after 6 iterations.
iteration 539: trace = 2.404959988643492 (0.000731745% change)
linmin: converged after 5 iterations.
iteration 540: trace = 2.404946988248541 (0.000540567% change)
large trace change predicted (0.0015967%)
linmin: converged after 5 iterations.
iteration 541: trace = 2.404908573238 (0.00159735% change)
linmin: converged after 6 iterations.
iteration 542: trace = 2.404896154483712 (0.000516393% change)
large trace change predicted (0.00287666%)
linmin: converged after 4 iterations.
iteration 543: trace = 2.404826963510332 (0.00287713% change)
linmin: converged after 6 iterations.
iteration 544: trace = 2.404787406254018 (0.00164492% change)
linmin: converged after 5 iterations.
iteration 545: trace = 2.404736044893518 (0.00213582% change)
large trace change predicted (0.00443929%)
linmin: converged after 3 iterations.
iteration 546: trace = 2.404629294934921 (0.00443925% change)
linmin: converged after 6 iterations.
iteration 547: trace = 2.4045845791738 (0.00185959% change)
large trace change predicted (0.00466007%)
linmin: converged after 4 iterations.
iteration 548: trace = 2.404472586290214 (0.00465758% change)
linmin: converged after 6 iterations.
iteration 549: trace = 2.404434488341275 (0.00158447% change)
large trace change predicted (0.00443587%)
linmin: converged after 4 iterations.
iteration 550: trace = 2.404327823952165 (0.00443625% change)
linmin: converged after 4 iterations.
iteration 551: trace = 2.404304216127492 (0.000981894% change)
large trace change predicted (0.00258222%)
linmin: converged after 7 iterations.
iteration 552: trace = 2.404242123612877 (0.00258259% change)
linmin: converged after 12 iterations.
iteration 553: trace = 2.404215922729015 (0.00108978% change)
linmin: converged after 5 iterations.
iteration 554: trace = 2.404164655472735 (0.00213241% change)
linmin: converged after 5 iterations.
iteration 555: trace = 2.404122910393553 (0.00173638% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.404058275216116 (0.00268855% change)
linmin: converged after 8 iterations.
iteration 557: trace = 2.404006846623001 (0.00213926% change)
linmin: converged after 5 iterations.
iteration 558: trace = 2.403950806811292 (0.00233113% change)
linmin: converged after 6 iterations.
iteration 559: trace = 2.403897883883366 (0.00220152% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 560: trace = 2.403878736992528 (0.000796497% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.403846928345224 (0.00132323% change)
linmin: converged after 6 iterations.
iteration 562: trace = 2.403824804924251 (0.000920338% change)
linmin: converged after 4 iterations.
iteration 563: trace = 2.40380664787852 (0.000755343% change)
large trace change predicted (0.00190861%)
linmin: converged after 4 iterations.
iteration 564: trace = 2.403760773619517 (0.00190842% change)
linmin: converged after 6 iterations.
iteration 565: trace = 2.403736551598012 (0.00100768% change)
large trace change predicted (0.00387845%)
linmin: converged after 4 iterations.
iteration 566: trace = 2.403643348766122 (0.00387749% change)
linmin: converged after 7 iterations.
iteration 567: trace = 2.403544438471036 (0.0041151% change)
linmin: converged after 4 iterations.
iteration 568: trace = 2.40348158036816 (0.00261526% change)
linmin: converged after 7 iterations.
iteration 569: trace = 2.403363671687726 (0.00490587% change)
linmin: converged after 5 iterations.
iteration 570: trace = 2.403297018360325 (0.00277337% change)
linmin: converged after 5 iterations.
iteration 571: trace = 2.403255147059998 (0.00174226% change)
linmin: converged after 6 iterations.
iteration 572: trace = 2.40317455990013 (0.00335331% change)
linmin: converged after 6 iterations.
iteration 573: trace = 2.403154186498361 (0.000847774% change)
large trace change predicted (0.00360817%)
linmin: converged after 4 iterations.
iteration 574: trace = 2.4030674909499 (0.00360764% change)
linmin: converged after 4 iterations.
iteration 575: trace = 2.403012650267774 (0.00228214% change)
linmin: converged after 3 iterations.
iteration 576: trace = 2.402962873066075 (0.00207147% change)
linmin: converged after 3 iterations.
iteration 577: trace = 2.402919977614044 (0.00178512% change)
linmin: converged after 4 iterations.
iteration 578: trace = 2.402896733822861 (0.000967319% change)
large trace change predicted (0.00204625%)
linmin: converged after 5 iterations.
iteration 579: trace = 2.402847577715611 (0.00204572% change)
linmin: converged after 4 iterations.
iteration 580: trace = 2.402807033410863 (0.00168736% change)
linmin: converged after 3 iterations.
iteration 581: trace = 2.402777532535984 (0.00122777% change)
linmin: converged after 3 iterations.
iteration 582: trace = 2.402739930900951 (0.00156494% change)
linmin: converged after 5 iterations.
iteration 583: trace = 2.402720125343526 (0.000824294% change)
linmin: converged after 4 iterations.
iteration 584: trace = 2.402687763069366 (0.00134691% change)
large trace change predicted (0.00290311%)
linmin: converged after 5 iterations.
iteration 585: trace = 2.402618052886326 (0.00290138% change)
linmin: converged after 5 iterations.
iteration 586: trace = 2.402590772605703 (0.00113545% change)
large trace change predicted (0.00576794%)
linmin: converged after 9 iterations.
iteration 587: trace = 2.402452368751609 (0.00576077% change)
linmin: converged after 3 iterations.
iteration 588: trace = 2.402340839589299 (0.00464241% change)
linmin: converged after 7 iterations.
iteration 589: trace = 2.402226500440043 (0.0047596% change)
linmin: converged after 5 iterations.
iteration 590: trace = 2.402094160427195 (0.00550921% change)
linmin: converged after 4 iterations.
iteration 591: trace = 2.402028738734665 (0.00272356% change)
linmin: converged after 8 iterations.
iteration 592: trace = 2.40193632985058 (0.00384719% change)
linmin: converged after 5 iterations.
iteration 593: trace = 2.401875892730049 (0.00251621% change)
linmin: converged after 12 iterations.
iteration 594: trace = 2.40185769126464 (0.000757805% change)
large trace change predicted (0.00158397%)
linmin: converged after 4 iterations.
iteration 595: trace = 2.401819651080237 (0.00158379% change)
linmin: converged after 3 iterations.
iteration 596: trace = 2.401807708348334 (0.000497238% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.401792593061487 (0.000629332% change)
linmin: converged after 5 iterations.
iteration 598: trace = 2.401768947664185 (0.000984494% change)
linmin: converged after 6 iterations.
iteration 599: trace = 2.401762216460676 (0.000280261% change)
large trace change predicted (0.00105261%)
linmin: converged after 3 iterations.
iteration 600: trace = 2.4017369389012 (0.00105246% change)
linmin: converged after 6 iterations.
iteration 601: trace = 2.401727062384461 (0.000411225% change)
linmin: converged after 5 iterations.
iteration 602: trace = 2.401714255105116 (0.000533254% change)
linmin: converged after 4 iterations.
iteration 603: trace = 2.4016968970432 (0.000722739% change)
linmin: converged after 6 iterations.
iteration 604: trace = 2.401688806682655 (0.000336861% change)
large trace change predicted (0.00113936%)
linmin: converged after 7 iterations.
iteration 605: trace = 2.401661449259016 (0.0011391% change)
linmin: converged after 4 iterations.
iteration 606: trace = 2.401620882925068 (0.00168911% change)
linmin: converged after 13 iterations.
iteration 607: trace = 2.401575027100097 (0.00190939% change)
large trace change predicted (0.00394296%)
linmin: converged after 3 iterations.
iteration 608: trace = 2.401480388969659 (0.00394075% change)
linmin: converged after 5 iterations.
iteration 609: trace = 2.401406990288653 (0.00305644% change)
linmin: converged after 8 iterations.
iteration 610: trace = 2.401317376248728 (0.0037318% change)
linmin: converged after 5 iterations.
iteration 611: trace = 2.401245887182211 (0.00297712% change)
linmin: converged after 5 iterations.
iteration 612: trace = 2.401228773172378 (0.000712716% change)
large trace change predicted (0.00156302%)
linmin: converged after 5 iterations.
iteration 613: trace = 2.4011912330083 (0.00156339% change)
linmin: converged after 5 iterations.
iteration 614: trace = 2.401176877196626 (0.000597864% change)
linmin: converged after 6 iterations.
iteration 615: trace = 2.401157429605223 (0.000809922% change)
linmin: converged after 5 iterations.
iteration 616: trace = 2.401137025417903 (0.000849768% change)
linmin: converged after 5 iterations.
iteration 617: trace = 2.401129955714504 (0.000294432% change)
large trace change predicted (0.000844026%)
linmin: converged after 4 iterations.
iteration 618: trace = 2.401109689483699 (0.000844032% change)
linmin: converged after 5 iterations.
iteration 619: trace = 2.401091065937965 (0.000775625% change)
linmin: converged after 5 iterations.
iteration 620: trace = 2.401073869481546 (0.000716196% change)
linmin: converged after 5 iterations.
iteration 621: trace = 2.401045611149328 (0.00117691% change)
linmin: converged after 5 iterations.
iteration 622: trace = 2.401024789401927 (0.000867199% change)
linmin: converged after 7 iterations.
iteration 623: trace = 2.400985585103309 (0.00163283% change)
linmin: converged after 5 iterations.
iteration 624: trace = 2.400950516491264 (0.0014606% change)
linmin: converged after 6 iterations.
iteration 625: trace = 2.400921724514769 (0.0011992% change)
large trace change predicted (0.00442853%)
linmin: converged after 5 iterations.
iteration 626: trace = 2.400815436912767 (0.00442705% change)
linmin: converged after 5 iterations.
iteration 627: trace = 2.400758891856712 (0.00235527% change)
linmin: converged after 4 iterations.
iteration 628: trace = 2.400674889902897 (0.00349904% change)
linmin: converged after 5 iterations.
iteration 629: trace = 2.400539021663387 (0.00565975% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 630: trace = 2.400448940520251 (0.00375261% change)
linmin: converged after 8 iterations.
iteration 631: trace = 2.400371093998 (0.00324305% change)
linmin: converged after 5 iterations.
iteration 632: trace = 2.40029571307695 (0.00314044% change)
linmin: converged after 5 iterations.
iteration 633: trace = 2.400212714335126 (0.00345791% change)
linmin: converged after 4 iterations.
iteration 634: trace = 2.40014741730044 (0.00272051% change)
linmin: converged after 3 iterations.
iteration 635: trace = 2.400133591440214 (0.000576044% change)
large trace change predicted (0.00171384%)
linmin: converged after 5 iterations.
iteration 636: trace = 2.40009246268975 (0.00171362% change)
linmin: converged after 5 iterations.
iteration 637: trace = 2.400072356913596 (0.000837712% change)
linmin: converged after 5 iterations.
iteration 638: trace = 2.400056653307066 (0.000654299% change)
linmin: converged after 3 iterations.
iteration 639: trace = 2.400032143309593 (0.00102123% change)
linmin: converged after 5 iterations.
iteration 640: trace = 2.40002288274058 (0.000385853% change)
large trace change predicted (0.000883049%)
linmin: converged after 13 iterations.
iteration 641: trace = 2.400001691594345 (0.00088296% change)
linmin: converged after 4 iterations.
iteration 642: trace = 2.399982044273439 (0.000818641% change)
linmin: converged after 4 iterations.
iteration 643: trace = 2.399976069778171 (0.000248939% change)
large trace change predicted (0.0010033%)
linmin: converged after 3 iterations.
iteration 644: trace = 2.399951987441472 (0.00100345% change)
linmin: converged after 8 iterations.
iteration 645: trace = 2.39993237997668 (0.000816997% change)
linmin: converged after 5 iterations.
iteration 646: trace = 2.399910671704903 (0.000904541% change)
large trace change predicted (0.00251589%)
linmin: converged after 3 iterations.
iteration 647: trace = 2.399850284857141 (0.00251624% change)
linmin: converged after 5 iterations.
iteration 648: trace = 2.399829116036321 (0.000882093% change)
large trace change predicted (0.00376049%)
linmin: converged after 4 iterations.
iteration 649: trace = 2.399738897782539 (0.00375943% change)
linmin: converged after 4 iterations.
iteration 650: trace = 2.399670075442045 (0.00286795% change)
linmin: converged after 5 iterations.
iteration 651: trace = 2.399601011617795 (0.0028781% change)
linmin: converged after 5 iterations.
iteration 652: trace = 2.399548364891094 (0.002194% change)
linmin: converged after 4 iterations.
iteration 653: trace = 2.399520651546327 (0.00115495% change)
linmin: converged after 3 iterations.
iteration 654: trace = 2.399494804205672 (0.00107719% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.399480070121222 (0.000614051% change)
linmin: converged after 6 iterations.
iteration 656: trace = 2.399470795435928 (0.00038653% change)
linmin: converged after 3 iterations.
iteration 657: trace = 2.399454389865875 (0.000683719% change)
linmin: converged after 3 iterations.
iteration 658: trace = 2.399445758108693 (0.000359739% change)
linmin: converged after 4 iterations.
iteration 659: trace = 2.399429786331971 (0.000665647% change)
linmin: converged after 4 iterations.
iteration 660: trace = 2.399407385281236 (0.000933603% change)
linmin: converged after 5 iterations.
iteration 661: trace = 2.399400282885068 (0.000296007% change)
large trace change predicted (0.00109265%)
linmin: converged after 4 iterations.
iteration 662: trace = 2.399374067441653 (0.00109259% change)
linmin: converged after 2 iterations.
iteration 663: trace = 2.399347448526156 (0.00110942% change)
linmin: converged after 5 iterations.
iteration 664: trace = 2.399318769618348 (0.00119529% change)
linmin: converged after 3 iterations.
iteration 665: trace = 2.399261852897858 (0.00237223% change)
linmin: converged after 5 iterations.
iteration 666: trace = 2.399224078485799 (0.00157443% change)
linmin: converged after 6 iterations.
iteration 667: trace = 2.399149865363118 (0.00309326% change)
linmin: converged after 4 iterations.
iteration 668: trace = 2.399045479083078 (0.00435106% change)
linmin: converged after 5 iterations.
iteration 669: trace = 2.398983133645272 (0.00259879% change)
large trace change predicted (0.00770133%)
linmin: converged after 6 iterations.
iteration 670: trace = 2.398798508777453 (0.00769626% change)
linmin: converged after 4 iterations.
iteration 671: trace = 2.398750961747214 (0.00198214% change)
linmin: converged after 5 iterations.
iteration 672: trace = 2.398656098098674 (0.00395479% change)
linmin: converged after 5 iterations.
iteration 673: trace = 2.398623906945157 (0.00134206% change)
linmin: converged after 4 iterations.
iteration 674: trace = 2.398590914172487 (0.0013755% change)
linmin: converged after 5 iterations.
iteration 675: trace = 2.398551154052113 (0.00165766% change)
linmin: converged after 5 iterations.
iteration 676: trace = 2.398538875067128 (0.000511935% change)
large trace change predicted (0.00181828%)
linmin: converged after 5 iterations.
iteration 677: trace = 2.398495268381243 (0.00181807% change)
linmin: converged after 3 iterations.
iteration 678: trace = 2.398483221762058 (0.000502259% change)
large trace change predicted (0.00130369%)
linmin: converged after 3 iterations.
iteration 679: trace = 2.398451938659577 (0.0013043% change)
linmin: converged after 6 iterations.
iteration 680: trace = 2.398417031338629 (0.00145542% change)
linmin: converged after 5 iterations.
iteration 681: trace = 2.398395109550561 (0.000914015% change)
large trace change predicted (0.00298605%)
linmin: converged after 8 iterations.
iteration 682: trace = 2.398323449625818 (0.00298787% change)
linmin: converged after 7 iterations.
iteration 683: trace = 2.398292693103413 (0.00128243% change)
large trace change predicted (0.00328961%)
linmin: converged after 4 iterations.
iteration 684: trace = 2.398213734195218 (0.00329235% change)
linmin: converged after 4 iterations.
iteration 685: trace = 2.398151947224186 (0.00257641% change)
linmin: converged after 4 iterations.
iteration 686: trace = 2.398116045969583 (0.00149705% change)
linmin: converged after 4 iterations.
iteration 687: trace = 2.398057448788226 (0.0024435% change)
linmin: converged after 6 iterations.
iteration 688: trace = 2.398025803033653 (0.00131965% change)
linmin: converged after 3 iterations.
iteration 689: trace = 2.397968309028343 (0.00239758% change)
linmin: converged after 5 iterations.
iteration 690: trace = 2.397902171888899 (0.00275809% change)
linmin: converged after 4 iterations.
iteration 691: trace = 2.397833284827112 (0.00287285% change)
linmin: converged after 4 iterations.
iteration 692: trace = 2.397760860037896 (0.00302047% change)
linmin: converged after 4 iterations.
iteration 693: trace = 2.397733520417618 (0.00114022% change)
linmin: converged after 4 iterations.
iteration 694: trace = 2.397694622929557 (0.00162227% change)
linmin: converged after 5 iterations.
iteration 695: trace = 2.39767835630367 (0.00067843% change)
linmin: converged after 4 iterations.
iteration 696: trace = 2.397661745955241 (0.00069277% change)
linmin: converged after 4 iterations.
iteration 697: trace = 2.397645132146407 (0.00069292% change)
linmin: converged after 5 iterations.
iteration 698: trace = 2.397638068288229 (0.000294617% change)
large trace change predicted (0.00165669%)
linmin: converged after 5 iterations.
iteration 699: trace = 2.397598347211788 (0.00165669% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 700: trace = 2.39758239410961 (0.000665381% change)
linmin: converged after 5 iterations.
iteration 701: trace = 2.397560443954596 (0.000915516% change)
linmin: converged after 3 iterations.
iteration 702: trace = 2.397545454380746 (0.000625203% change)
linmin: converged after 6 iterations.
iteration 703: trace = 2.397538502714289 (0.00028995% change)
large trace change predicted (0.00101637%)
linmin: converged after 4 iterations.
iteration 704: trace = 2.397514137251211 (0.00101628% change)
linmin: converged after 5 iterations.
iteration 705: trace = 2.397487682420538 (0.00110343% change)
linmin: converged after 5 iterations.
iteration 706: trace = 2.397462487788958 (0.00105088% change)
large trace change predicted (0.00331332%)
linmin: converged after 6 iterations.
iteration 707: trace = 2.397383085367669 (0.00331199% change)
linmin: converged after 4 iterations.
iteration 708: trace = 2.397357524252455 (0.00106621% change)
large trace change predicted (0.0028161%)
linmin: converged after 3 iterations.
iteration 709: trace = 2.397290013001008 (0.00281611% change)
linmin: converged after 4 iterations.
iteration 710: trace = 2.397218757445285 (0.00297238% change)
linmin: converged after 4 iterations.
iteration 711: trace = 2.397199565464883 (0.000800597% change)
large trace change predicted (0.00324724%)
linmin: converged after 3 iterations.
iteration 712: trace = 2.397121751801342 (0.00324608% change)
linmin: converged after 6 iterations.
iteration 713: trace = 2.397095605362654 (0.00109075% change)
large trace change predicted (0.00230687%)
linmin: converged after 5 iterations.
iteration 714: trace = 2.397040332562358 (0.00230585% change)
linmin: converged after 3 iterations.
iteration 715: trace = 2.396987519520442 (0.00220328% change)
linmin: converged after 4 iterations.
iteration 716: trace = 2.396960538556553 (0.00112563% change)
linmin: converged after 8 iterations.
iteration 717: trace = 2.396910801167665 (0.00207504% change)
linmin: converged after 5 iterations.
iteration 718: trace = 2.396865981324696 (0.00186992% change)
linmin: converged after 5 iterations.
iteration 719: trace = 2.396844753180099 (0.000885666% change)
linmin: converged after 3 iterations.
iteration 720: trace = 2.396807971416041 (0.0015346% change)
linmin: converged after 4 iterations.
iteration 721: trace = 2.396794629674081 (0.000556648% change)
linmin: converged after 5 iterations.
iteration 722: trace = 2.396769430129229 (0.00105139% change)
linmin: converged after 6 iterations.
iteration 723: trace = 2.396746799016373 (0.000944238% change)
linmin: converged after 5 iterations.
iteration 724: trace = 2.396737231229561 (0.0003992% change)
large trace change predicted (0.00148121%)
linmin: converged after 3 iterations.
iteration 725: trace = 2.396701734334349 (0.00148106% change)
linmin: converged after 4 iterations.
iteration 726: trace = 2.396684811167906 (0.000706105% change)
large trace change predicted (0.00257885%)
linmin: converged after 3 iterations.
iteration 727: trace = 2.396623013363413 (0.0025785% change)
linmin: converged after 5 iterations.
iteration 728: trace = 2.396562471766473 (0.00252615% change)
linmin: converged after 4 iterations.
iteration 729: trace = 2.396485807362582 (0.00319898% change)
linmin: converged after 4 iterations.
iteration 730: trace = 2.396398629990256 (0.00363778% change)
linmin: converged after 5 iterations.
iteration 731: trace = 2.396364140161586 (0.00143925% change)
large trace change predicted (0.00343283%)
linmin: converged after 4 iterations.
iteration 732: trace = 2.396281906195748 (0.00343167% change)
linmin: converged after 5 iterations.
iteration 733: trace = 2.396257498895117 (0.00101855% change)
large trace change predicted (0.00238498%)
linmin: converged after 5 iterations.
iteration 734: trace = 2.396200374211696 (0.00238394% change)
linmin: converged after 3 iterations.
iteration 735: trace = 2.396187510478526 (0.00053684% change)
large trace change predicted (0.0010834%)
linmin: converged after 4 iterations.
iteration 736: trace = 2.396161559473703 (0.00108302% change)
linmin: converged after 6 iterations.
iteration 737: trace = 2.3961481230029 (0.000560751% change)
linmin: converged after 9 iterations.
iteration 738: trace = 2.396141443781758 (0.000278749% change)
large trace change predicted (0.000670855%)
linmin: converged after 5 iterations.
iteration 739: trace = 2.396125373143394 (0.00067069% change)
linmin: converged after 5 iterations.
iteration 740: trace = 2.396120352721215 (0.000209523% change)
large trace change predicted (0.000748139%)
linmin: converged after 10 iterations.
iteration 741: trace = 2.396102427987452 (0.000748076% change)
linmin: converged after 8 iterations.
iteration 742: trace = 2.396097685709103 (0.000197917% change)
linmin: converged after 4 iterations.
iteration 743: trace = 2.39608858187457 (0.000379945% change)
linmin: converged after 4 iterations.
iteration 744: trace = 2.396080477902917 (0.000338217% change)
linmin: converged after 5 iterations.
iteration 745: trace = 2.396075994320579 (0.000187122% change)
large trace change predicted (0.000530055%)
linmin: converged after 7 iterations.
iteration 746: trace = 2.396063294660862 (0.00053002% change)
linmin: converged after 5 iterations.
iteration 747: trace = 2.39605513662636 (0.000340477% change)
large trace change predicted (0.00128155%)
linmin: converged after 4 iterations.
iteration 748: trace = 2.39602443907263 (0.00128118% change)
linmin: converged after 8 iterations.
iteration 749: trace = 2.396006591380845 (0.00074489% change)
large trace change predicted (0.00186507%)
linmin: converged after 5 iterations.
iteration 750: trace = 2.395961906998437 (0.00186497% change)
linmin: converged after 8 iterations.
iteration 751: trace = 2.395927109489925 (0.00145235% change)
linmin: converged after 7 iterations.
iteration 752: trace = 2.395890786887048 (0.00151603% change)
linmin: converged after 8 iterations.
iteration 753: trace = 2.395866619214188 (0.00100872% change)
linmin: converged after 4 iterations.
iteration 754: trace = 2.395835828704396 (0.00128516% change)
linmin: converged after 7 iterations.
iteration 755: trace = 2.395818046340084 (0.000742222% change)
linmin: converged after 6 iterations.
iteration 756: trace = 2.395795347878103 (0.000947425% change)
linmin: converged after 6 iterations.
iteration 757: trace = 2.395778228352431 (0.000714568% change)
linmin: converged after 3 iterations.
iteration 758: trace = 2.395769799862759 (0.000351807% change)
linmin: converged after 7 iterations.
iteration 759: trace = 2.395759081764716 (0.000447377% change)
linmin: converged after 3 iterations.
iteration 760: trace = 2.39575280926562 (0.000261817% change)
linmin: converged after 5 iterations.
iteration 761: trace = 2.39574707387441 (0.000239399% change)
linmin: converged after 5 iterations.
iteration 762: trace = 2.395737719989556 (0.000390438% change)
linmin: converged after 5 iterations.
iteration 763: trace = 2.395733826987011 (0.000162497% change)
large trace change predicted (0.000701611%)
linmin: converged after 8 iterations.
iteration 764: trace = 2.395717020918321 (0.000701502% change)
linmin: converged after 3 iterations.
iteration 765: trace = 2.395713145706522 (0.000161756% change)
large trace change predicted (0.000956725%)
linmin: converged after 5 iterations.
iteration 766: trace = 2.395690221195577 (0.000956902% change)
linmin: converged after 8 iterations.
iteration 767: trace = 2.395682105396979 (0.000338767% change)
large trace change predicted (0.000729102%)
linmin: converged after 4 iterations.
iteration 768: trace = 2.395664636191873 (0.000729198% change)
linmin: converged after 5 iterations.
iteration 769: trace = 2.395652041868552 (0.000525715% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 770: trace = 2.395642452366607 (0.000400289% change)
linmin: converged after 9 iterations.
iteration 771: trace = 2.395629260225946 (0.000550674% change)
linmin: converged after 3 iterations.
iteration 772: trace = 2.395618048162598 (0.000468023% change)
linmin: converged after 5 iterations.
iteration 773: trace = 2.395610174871793 (0.000328654% change)
linmin: converged after 3 iterations.
iteration 774: trace = 2.395596566662333 (0.000568049% change)
linmin: converged after 6 iterations.
iteration 775: trace = 2.395590051652562 (0.000271958% change)
large trace change predicted (0.000806528%)
linmin: converged after 6 iterations.
iteration 776: trace = 2.395570730932862 (0.000806515% change)
linmin: converged after 5 iterations.
iteration 777: trace = 2.395565290115732 (0.00022712% change)
large trace change predicted (0.000498756%)
linmin: converged after 4 iterations.
iteration 778: trace = 2.395553340709094 (0.000498815% change)
linmin: converged after 4 iterations.
iteration 779: trace = 2.39554568390412 (0.000319626% change)
linmin: converged after 17 iterations.
iteration 780: trace = 2.395541431298903 (0.000177522% change)
large trace change predicted (0.00049215%)
linmin: converged after 4 iterations.
iteration 781: trace = 2.395529642298953 (0.000492124% change)
linmin: converged after 4 iterations.
iteration 782: trace = 2.395525068614838 (0.000190926% change)
large trace change predicted (0.00079864%)
linmin: converged after 3 iterations.
iteration 783: trace = 2.395505939577015 (0.000798535% change)
linmin: converged after 6 iterations.
iteration 784: trace = 2.395495457574481 (0.00043757% change)
large trace change predicted (0.00153707%)
linmin: converged after 4 iterations.
iteration 785: trace = 2.395458640239006 (0.00153695% change)
linmin: converged after 5 iterations.
iteration 786: trace = 2.395426780773616 (0.00133% change)
linmin: converged after 6 iterations.
iteration 787: trace = 2.395395614327688 (0.00130109% change)
linmin: converged after 4 iterations.
iteration 788: trace = 2.395347753316066 (0.00199806% change)
linmin: converged after 15 iterations.
iteration 789: trace = 2.395336200484313 (0.000482304% change)
large trace change predicted (0.00110779%)
linmin: converged after 5 iterations.
iteration 790: trace = 2.395309659115983 (0.00110805% change)
linmin: converged after 5 iterations.
iteration 791: trace = 2.395305541536678 (0.000171902% change)
large trace change predicted (0.000426853%)
linmin: converged after 4 iterations.
iteration 792: trace = 2.395295317112858 (0.000426854% change)
linmin: converged after 6 iterations.
iteration 793: trace = 2.395291607935198 (0.000154853% change)
linmin: converged after 4 iterations.
iteration 794: trace = 2.395284881369466 (0.000280825% change)
linmin: converged after 3 iterations.
iteration 795: trace = 2.395282314882131 (0.000107148% change)
large trace change predicted (0.000363795%)
linmin: converged after 5 iterations.
iteration 796: trace = 2.395273600083791 (0.000363832% change)
linmin: converged after 5 iterations.
iteration 797: trace = 2.395271223154673 (9.92342e-05% change)
large trace change predicted (0.000340884%)
linmin: converged after 2 iterations.
iteration 798: trace = 2.39526305787462 (0.000340892% change)
linmin: converged after 5 iterations.
iteration 799: trace = 2.395260394965665 (0.000111174% change)
large trace change predicted (0.000431369%)
linmin: converged after 6 iterations.
iteration 800: trace = 2.395250061116095 (0.00043143% change)
linmin: converged after 4 iterations.
iteration 801: trace = 2.395245413649938 (0.000194029% change)
large trace change predicted (0.000569044%)
linmin: converged after 4 iterations.
iteration 802: trace = 2.395231784161364 (0.000569024% change)
linmin: converged after 3 iterations.
iteration 803: trace = 2.395223581441534 (0.000342461% change)
linmin: converged after 5 iterations.
iteration 804: trace = 2.395207934722523 (0.000653249% change)
linmin: converged after 3 iterations.
iteration 805: trace = 2.395196120649871 (0.000493239% change)
linmin: converged after 5 iterations.
iteration 806: trace = 2.395178716878824 (0.000726614% change)
linmin: converged after 5 iterations.
iteration 807: trace = 2.395148199747699 (0.00127411% change)
linmin: converged after 5 iterations.
iteration 808: trace = 2.395137434610638 (0.000449457% change)
large trace change predicted (0.00167401%)
linmin: converged after 4 iterations.
iteration 809: trace = 2.395097334971058 (0.00167422% change)
linmin: converged after 6 iterations.
iteration 810: trace = 2.395079604739446 (0.000740275% change)
large trace change predicted (0.00207408%)
linmin: converged after 4 iterations.
iteration 811: trace = 2.395029918711579 (0.00207453% change)
linmin: converged after 6 iterations.
iteration 812: trace = 2.395008690784144 (0.000886336% change)
large trace change predicted (0.00240346%)
linmin: converged after 7 iterations.
iteration 813: trace = 2.394951105525065 (0.00240442% change)
linmin: converged after 5 iterations.
iteration 814: trace = 2.394938116298908 (0.00054236% change)
large trace change predicted (0.00136867%)
linmin: converged after 13 iterations.
iteration 815: trace = 2.394905336611201 (0.00136872% change)
linmin: converged after 6 iterations.
iteration 816: trace = 2.394892346720609 (0.000542398% change)
linmin: converged after 4 iterations.
iteration 817: trace = 2.394879298712001 (0.000544828% change)
linmin: converged after 7 iterations.
iteration 818: trace = 2.394869403121697 (0.000413199% change)
linmin: converged after 3 iterations.
iteration 819: trace = 2.394861454864876 (0.000331887% change)
linmin: converged after 5 iterations.
iteration 820: trace = 2.394853691918189 (0.000324151% change)
linmin: converged after 4 iterations.
iteration 821: trace = 2.394847429933353 (0.000261477% change)
linmin: converged after 7 iterations.
iteration 822: trace = 2.394837501342926 (0.000414582% change)
linmin: converged after 5 iterations.
iteration 823: trace = 2.39483302852368 (0.000186769% change)
large trace change predicted (0.000876756%)
linmin: converged after 4 iterations.
iteration 824: trace = 2.394812023301695 (0.00087711% change)
linmin: converged after 6 iterations.
iteration 825: trace = 2.394804586080783 (0.000310556% change)
large trace change predicted (0.00093003%)
linmin: converged after 3 iterations.
iteration 826: trace = 2.394782307915482 (0.000930275% change)
linmin: converged after 5 iterations.
iteration 827: trace = 2.394769386045013 (0.000539586% change)
large trace change predicted (0.00117236%)
linmin: converged after 6 iterations.
iteration 828: trace = 2.394741300849612 (0.00117278% change)
linmin: converged after 5 iterations.
iteration 829: trace = 2.394720862647654 (0.000853465% change)
linmin: converged after 6 iterations.
iteration 830: trace = 2.394704186977982 (0.000696354% change)
linmin: converged after 4 iterations.
iteration 831: trace = 2.394682849252985 (0.000891042% change)
linmin: converged after 6 iterations.
iteration 832: trace = 2.39467402733472 (0.000368397% change)
large trace change predicted (0.00107963%)
linmin: converged after 3 iterations.
iteration 833: trace = 2.394648178904071 (0.00107942% change)
linmin: converged after 6 iterations.
iteration 834: trace = 2.394641160982183 (0.000293067% change)
large trace change predicted (0.000861246%)
linmin: converged after 6 iterations.
iteration 835: trace = 2.394620539422801 (0.000861158% change)
linmin: converged after 6 iterations.
iteration 836: trace = 2.394608537546642 (0.000501203% change)
linmin: converged after 4 iterations.
iteration 837: trace = 2.394588612079556 (0.000832101% change)
linmin: converged after 3 iterations.
iteration 838: trace = 2.394574852354423 (0.000574619% change)
linmin: converged after 5 iterations.
iteration 839: trace = 2.39455216210991 (0.000947573% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 840: trace = 2.394540823701043 (0.00047351% change)
linmin: converged after 4 iterations.
iteration 841: trace = 2.394527776114812 (0.00054489% change)
linmin: converged after 5 iterations.
iteration 842: trace = 2.394523660121363 (0.000171892% change)
linmin: converged after 6 iterations.
iteration 843: trace = 2.394518063110889 (0.000233742% change)
linmin: converged after 2 iterations.
iteration 844: trace = 2.394509803044171 (0.000344958% change)
linmin: converged after 5 iterations.
iteration 845: trace = 2.394507760696138 (8.5293e-05% change)
large trace change predicted (0.000436312%)
linmin: converged after 4 iterations.
iteration 846: trace = 2.394497313427193 (0.000436302% change)
linmin: converged after 4 iterations.
iteration 847: trace = 2.394490362233961 (0.000290299% change)
linmin: converged after 6 iterations.
iteration 848: trace = 2.394477476693619 (0.000538134% change)
linmin: converged after 5 iterations.
iteration 849: trace = 2.394464689887249 (0.000534014% change)
linmin: converged after 5 iterations.
iteration 850: trace = 2.394458144136741 (0.00027337% change)
large trace change predicted (0.000877888%)
linmin: converged after 5 iterations.
iteration 851: trace = 2.394437132506152 (0.000877515% change)
linmin: converged after 5 iterations.
iteration 852: trace = 2.394410973238042 (0.00109251% change)
linmin: converged after 5 iterations.
iteration 853: trace = 2.394402272635757 (0.000363372% change)
large trace change predicted (0.00121355%)
linmin: converged after 4 iterations.
iteration 854: trace = 2.394373229641932 (0.00121296% change)
linmin: converged after 7 iterations.
iteration 855: trace = 2.394354067564101 (0.000800299% change)
linmin: converged after 8 iterations.
iteration 856: trace = 2.39433372431924 (0.000849638% change)
linmin: converged after 6 iterations.
iteration 857: trace = 2.394297166381279 (0.00152686% change)
linmin: converged after 5 iterations.
iteration 858: trace = 2.394285767544338 (0.000476084% change)
large trace change predicted (0.00159333%)
linmin: converged after 4 iterations.
iteration 859: trace = 2.394247622389388 (0.00159319% change)
linmin: converged after 4 iterations.
iteration 860: trace = 2.394233346506626 (0.000596259% change)
linmin: converged after 6 iterations.
iteration 861: trace = 2.394207819726012 (0.00106618% change)
linmin: converged after 5 iterations.
iteration 862: trace = 2.394195519026676 (0.00051377% change)
linmin: converged after 5 iterations.
iteration 863: trace = 2.394188993596345 (0.000272552% change)
linmin: converged after 5 iterations.
iteration 864: trace = 2.394182356903114 (0.0002772% change)
linmin: converged after 5 iterations.
iteration 865: trace = 2.394179333180336 (0.000126295% change)
large trace change predicted (0.000328299%)
linmin: converged after 5 iterations.
iteration 866: trace = 2.394171473976929 (0.000328263% change)
linmin: converged after 5 iterations.
iteration 867: trace = 2.394161450734507 (0.000418653% change)
linmin: converged after 4 iterations.
iteration 868: trace = 2.394155805717717 (0.000235783% change)
large trace change predicted (0.000528311%)
linmin: converged after 5 iterations.
iteration 869: trace = 2.39414315843689 (0.000528258% change)
linmin: converged after 7 iterations.
iteration 870: trace = 2.394130787986597 (0.000516698% change)
linmin: converged after 6 iterations.
iteration 871: trace = 2.394120900976059 (0.00041297% change)
large trace change predicted (0.00112671%)
linmin: converged after 4 iterations.
iteration 872: trace = 2.39409393349801 (0.00112641% change)
linmin: converged after 8 iterations.
iteration 873: trace = 2.394087939782523 (0.000250355% change)
large trace change predicted (0.000736548%)
linmin: converged after 5 iterations.
iteration 874: trace = 2.394070307241102 (0.000736506% change)
linmin: converged after 5 iterations.
iteration 875: trace = 2.394053220487694 (0.000713714% change)
linmin: converged after 5 iterations.
iteration 876: trace = 2.394047530589803 (0.000237668% change)
linmin: converged after 7 iterations.
iteration 877: trace = 2.394037289050395 (0.000427793% change)
linmin: converged after 12 iterations.
iteration 878: trace = 2.394028799022859 (0.000354633% change)
linmin: converged after 17 iterations.
iteration 879: trace = 2.394022136076078 (0.000278316% change)
linmin: converged after 5 iterations.
iteration 880: trace = 2.394012906652803 (0.00038552% change)
linmin: converged after 14 iterations.
iteration 881: trace = 2.394011176554337 (7.22677e-05% change)
large trace change predicted (0.000190848%)
linmin: converged after 5 iterations.
iteration 882: trace = 2.394006607691629 (0.000190846% change)
linmin: converged after 8 iterations.
iteration 883: trace = 2.394004935452463 (6.98511e-05% change)
linmin: converged after 6 iterations.
iteration 884: trace = 2.394003356094164 (6.59714e-05% change)
large trace change predicted (0.000162004%)
linmin: converged after 3 iterations.
iteration 885: trace = 2.39399947773438 (0.000162003% change)
linmin: converged after 9 iterations.
iteration 886: trace = 2.393997603098247 (7.83057e-05% change)
large trace change predicted (0.000254067%)
linmin: converged after 6 iterations.
iteration 887: trace = 2.393991520849144 (0.000254063% change)
linmin: converged after 6 iterations.
iteration 888: trace = 2.393982081480052 (0.000394295% change)
linmin: converged after 5 iterations.
iteration 889: trace = 2.393976576528157 (0.00022995% change)
large trace change predicted (0.000726596%)
linmin: converged after 4 iterations.
iteration 890: trace = 2.393959186647659 (0.000726404% change)
linmin: converged after 5 iterations.
iteration 891: trace = 2.393946679171171 (0.000522461% change)
linmin: converged after 7 iterations.
iteration 892: trace = 2.393929882918499 (0.000701616% change)
linmin: converged after 5 iterations.
iteration 893: trace = 2.393910467690303 (0.000811022% change)
linmin: converged after 5 iterations.
iteration 894: trace = 2.393901562763373 (0.000371983% change)
linmin: converged after 8 iterations.
iteration 895: trace = 2.393892916922695 (0.000361162% change)
linmin: converged after 5 iterations.
iteration 896: trace = 2.39389096458894 (8.15548e-05% change)
large trace change predicted (0.000299648%)
linmin: converged after 6 iterations.
iteration 897: trace = 2.39388379195875 (0.000299623% change)
linmin: converged after 3 iterations.
iteration 898: trace = 2.393878750255292 (0.000210608% change)
linmin: converged after 7 iterations.
iteration 899: trace = 2.393875319777359 (0.000143302% change)
linmin: converged after 6 iterations.
iteration 900: trace = 2.39386880324487 (0.000272217% change)
linmin: converged after 2 iterations.
iteration 901: trace = 2.393865889782401 (0.000121705% change)
large trace change predicted (0.000474624%)
linmin: converged after 5 iterations.
iteration 902: trace = 2.393854529225294 (0.000474571% change)
linmin: converged after 6 iterations.
iteration 903: trace = 2.393848780120372 (0.000240161% change)
linmin: converged after 5 iterations.
iteration 904: trace = 2.393843160881334 (0.000234737% change)
linmin: converged after 5 iterations.
iteration 905: trace = 2.393835197853341 (0.000332647% change)
linmin: converged after 11 iterations.
iteration 906: trace = 2.393830256097682 (0.000206437% change)
linmin: converged after 5 iterations.
iteration 907: trace = 2.393823740035774 (0.000272203% change)
large trace change predicted (0.00131531%)
linmin: converged after 3 iterations.
iteration 908: trace = 2.393792263317471 (0.00131492% change)
linmin: converged after 5 iterations.
iteration 909: trace = 2.39377652602875 (0.000657423% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 910: trace = 2.39376330009675 (0.000552515% change)
linmin: converged after 4 iterations.
iteration 911: trace = 2.39374238845994 (0.000873592% change)
linmin: converged after 4 iterations.
iteration 912: trace = 2.393735033002682 (0.000307279% change)
linmin: converged after 7 iterations.
iteration 913: trace = 2.39372912334381 (0.000246881% change)
linmin: converged after 4 iterations.
iteration 914: trace = 2.393720884439127 (0.000344188% change)
linmin: converged after 5 iterations.
iteration 915: trace = 2.393716308546411 (0.000191163% change)
linmin: converged after 10 iterations.
iteration 916: trace = 2.39371181097369 (0.000187891% change)
linmin: converged after 5 iterations.
iteration 917: trace = 2.393704834491148 (0.000291451% change)
linmin: converged after 6 iterations.
iteration 918: trace = 2.393702382984916 (0.000102415% change)
large trace change predicted (0.000250766%)
linmin: converged after 4 iterations.
iteration 919: trace = 2.393696380507142 (0.000250762% change)
linmin: converged after 4 iterations.
iteration 920: trace = 2.393693777334366 (0.000108751% change)
linmin: converged after 3 iterations.
iteration 921: trace = 2.39369060811919 (0.000132399% change)
linmin: converged after 2 iterations.
iteration 922: trace = 2.393685895928552 (0.000196859% change)
linmin: converged after 5 iterations.
iteration 923: trace = 2.393683127047675 (0.000115674% change)
large trace change predicted (0.000244996%)
linmin: converged after 5 iterations.
iteration 924: trace = 2.393677261862061 (0.000245028% change)
linmin: converged after 5 iterations.
iteration 925: trace = 2.393669577398056 (0.000321032% change)
linmin: converged after 8 iterations.
iteration 926: trace = 2.393664634722948 (0.00020649% change)
linmin: converged after 4 iterations.
iteration 927: trace = 2.393656868232361 (0.000324461% change)
linmin: converged after 5 iterations.
iteration 928: trace = 2.393649260106471 (0.000317846% change)
linmin: converged after 5 iterations.
iteration 929: trace = 2.393637913421805 (0.000474034% change)
linmin: converged after 6 iterations.
iteration 930: trace = 2.393627845051446 (0.000420631% change)
linmin: converged after 6 iterations.
iteration 931: trace = 2.393623119731646 (0.000197413% change)
linmin: converged after 11 iterations.
iteration 932: trace = 2.393616613529423 (0.000271814% change)
linmin: converged after 3 iterations.
iteration 933: trace = 2.393614699545965 (7.9962e-05% change)
linmin: converged after 2 iterations.
iteration 934: trace = 2.393612284235905 (0.000100906% change)
linmin: converged after 7 iterations.
iteration 935: trace = 2.393609583419692 (0.000112834% change)
linmin: converged after 10 iterations.
iteration 936: trace = 2.393608895320764 (2.87473e-05% change)
large trace change predicted (7.45291e-05%)
linmin: converged after 5 iterations.
iteration 937: trace = 2.393607111307217 (7.45324e-05% change)
linmin: converged after 4 iterations.
iteration 938: trace = 2.393606501000698 (2.54974e-05% change)
large trace change predicted (0.00011861%)
linmin: converged after 6 iterations.
iteration 939: trace = 2.393603661892658 (0.000118612% change)
linmin: converged after 6 iterations.
iteration 940: trace = 2.393598716417863 (0.000206612% change)
linmin: converged after 5 iterations.
iteration 941: trace = 2.393596074406716 (0.000110378% change)
large trace change predicted (0.000302045%)
linmin: converged after 3 iterations.
iteration 942: trace = 2.393588844334078 (0.000302059% change)
linmin: converged after 4 iterations.
iteration 943: trace = 2.393579358283505 (0.000396312% change)
linmin: converged after 6 iterations.
iteration 944: trace = 2.393575822360091 (0.000147725% change)
large trace change predicted (0.000317736%)
linmin: converged after 6 iterations.
iteration 945: trace = 2.393568216785492 (0.00031775% change)
linmin: converged after 6 iterations.
iteration 946: trace = 2.393562163114726 (0.000252914% change)
linmin: converged after 6 iterations.
iteration 947: trace = 2.393555831024061 (0.000264547% change)
linmin: converged after 4 iterations.
iteration 948: trace = 2.393545423839673 (0.000434801% change)
linmin: converged after 6 iterations.
iteration 949: trace = 2.39354150132934 (0.000163879% change)
large trace change predicted (0.000476617%)
linmin: converged after 11 iterations.
iteration 950: trace = 2.393530092315141 (0.000476659% change)
linmin: converged after 2 iterations.
iteration 951: trace = 2.393525465184724 (0.000193318% change)
linmin: converged after 5 iterations.
iteration 952: trace = 2.393521452365795 (0.000167653% change)
linmin: converged after 8 iterations.
iteration 953: trace = 2.393517957767596 (0.000146002% change)
linmin: converged after 5 iterations.
iteration 954: trace = 2.393516584892442 (5.73581e-05% change)
large trace change predicted (0.000123131%)
linmin: converged after 4 iterations.
iteration 955: trace = 2.393513637809922 (0.000123128% change)
linmin: converged after 10 iterations.
iteration 956: trace = 2.393510506757236 (0.000130814% change)
linmin: converged after 5 iterations.
iteration 957: trace = 2.393507640157566 (0.000119766% change)
large trace change predicted (0.000313861%)
linmin: converged after 11 iterations.
iteration 958: trace = 2.393500127861745 (0.000313862% change)
linmin: converged after 5 iterations.
iteration 959: trace = 2.393494788156733 (0.000223092% change)
linmin: converged after 5 iterations.
iteration 960: trace = 2.39348434947494 (0.000436128% change)
linmin: converged after 6 iterations.
iteration 961: trace = 2.393473336170258 (0.000460138% change)
linmin: converged after 5 iterations.
iteration 962: trace = 2.393466176867826 (0.000299118% change)
linmin: converged after 4 iterations.
iteration 963: trace = 2.393452298072569 (0.000579863% change)
linmin: converged after 3 iterations.
iteration 964: trace = 2.393448656865348 (0.000152132% change)
large trace change predicted (0.000374091%)
linmin: converged after 3 iterations.
iteration 965: trace = 2.393439701805333 (0.00037415% change)
linmin: converged after 6 iterations.
iteration 966: trace = 2.393436458255365 (0.000135518% change)
large trace change predicted (0.000316792%)
linmin: converged after 4 iterations.
iteration 967: trace = 2.393428876045128 (0.000316792% change)
linmin: converged after 5 iterations.
iteration 968: trace = 2.393426380859422 (0.000104252% change)
large trace change predicted (0.000244802%)
linmin: converged after 5 iterations.
iteration 969: trace = 2.393420520538728 (0.000244851% change)
linmin: converged after 5 iterations.
iteration 970: trace = 2.393418851824411 (6.97209e-05% change)
large trace change predicted (0.00019134%)
linmin: converged after 3 iterations.
iteration 971: trace = 2.393414271876066 (0.000191356% change)
linmin: converged after 7 iterations.
iteration 972: trace = 2.393413075477578 (4.99871e-05% change)
large trace change predicted (0.00015086%)
linmin: converged after 4 iterations.
iteration 973: trace = 2.393409464217927 (0.000150883% change)
linmin: converged after 6 iterations.
iteration 974: trace = 2.393408134152997 (5.5572e-05% change)
large trace change predicted (0.000120053%)
linmin: converged after 5 iterations.
iteration 975: trace = 2.393405260855118 (0.000120051% change)
linmin: converged after 9 iterations.
iteration 976: trace = 2.393404383141242 (3.66722e-05% change)
linmin: converged after 5 iterations.
iteration 977: trace = 2.393402666045481 (7.17428e-05% change)
linmin: converged after 5 iterations.
iteration 978: trace = 2.393401975714696 (2.88431e-05% change)
large trace change predicted (0.000103563%)
linmin: converged after 4 iterations.
iteration 979: trace = 2.393399497148036 (0.000103558% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 980: trace = 2.393398857745352 (2.67153e-05% change)
linmin: converged after 3 iterations.
iteration 981: trace = 2.39339801257345 (3.53126e-05% change)
linmin: converged after 4 iterations.
iteration 982: trace = 2.393396777174976 (5.16169e-05% change)
linmin: converged after 13 iterations.
iteration 983: trace = 2.393396046469055 (3.05301e-05% change)
large trace change predicted (0.000135784%)
linmin: converged after 7 iterations.
iteration 984: trace = 2.393392796856243 (0.000135774% change)
linmin: converged after 4 iterations.
iteration 985: trace = 2.3933909388881 (7.76291e-05% change)
linmin: converged after 8 iterations.
iteration 986: trace = 2.393388231354699 (0.000113125% change)
linmin: converged after 6 iterations.
iteration 987: trace = 2.393385084528441 (0.00013148% change)
linmin: converged after 7 iterations.
iteration 988: trace = 2.393383375292374 (7.1415e-05% change)
large trace change predicted (0.000162227%)
linmin: converged after 6 iterations.
iteration 989: trace = 2.39337949267091 (0.000162223% change)
linmin: converged after 6 iterations.
iteration 990: trace = 2.393377370493137 (8.86687e-05% change)
large trace change predicted (0.0002045%)
linmin: converged after 4 iterations.
iteration 991: trace = 2.393372476433091 (0.000204484% change)
linmin: converged after 5 iterations.
iteration 992: trace = 2.393366010571389 (0.000270157% change)
linmin: converged after 7 iterations.
iteration 993: trace = 2.393360582141217 (0.000226812% change)
linmin: converged after 5 iterations.
iteration 994: trace = 2.393353007150244 (0.000316501% change)
linmin: converged after 4 iterations.
iteration 995: trace = 2.393350017475156 (0.000124916% change)
large trace change predicted (0.00026056%)
linmin: converged after 5 iterations.
iteration 996: trace = 2.39334378203401 (0.000260532% change)
linmin: converged after 6 iterations.
iteration 997: trace = 2.393335774007732 (0.000334596% change)
linmin: converged after 6 iterations.
iteration 998: trace = 2.393331601744257 (0.000174329% change)
large trace change predicted (0.000372919%)
linmin: converged after 13 iterations.
iteration 999: trace = 2.393322677307343 (0.000372888% change)
linmin: converged after 13 iterations.
iteration 1000: trace = 2.393321272804266 (5.86843e-05% change)
linmin: converged after 8 iterations.
iteration 1001: trace = 2.393318598405276 (0.000111744% change)
linmin: converged after 5 iterations.
iteration 1002: trace = 2.393316904843696 (7.07621e-05% change)
linmin: converged after 5 iterations.
iteration 1003: trace = 2.393316064873754 (3.50965e-05% change)
large trace change predicted (9.3938e-05%)
linmin: converged after 4 iterations.
iteration 1004: trace = 2.393313816626083 (9.39386e-05% change)
linmin: converged after 11 iterations.
iteration 1005: trace = 2.393312997241325 (3.42364e-05% change)
large trace change predicted (0.000149882%)
linmin: converged after 6 iterations.
iteration 1006: trace = 2.39330941048938 (0.000149866% change)
linmin: converged after 5 iterations.
iteration 1007: trace = 2.393306895060383 (0.000105103% change)
linmin: converged after 5 iterations.
iteration 1008: trace = 2.393304600723536 (9.58648e-05% change)
large trace change predicted (0.000192641%)
linmin: converged after 5 iterations.
iteration 1009: trace = 2.393299991031353 (0.000192608% change)
linmin: converged after 5 iterations.
iteration 1010: trace = 2.393296409280905 (0.000149658% change)
linmin: converged after 9 iterations.
iteration 1011: trace = 2.393290678965539 (0.000239432% change)
linmin: converged after 5 iterations.
iteration 1012: trace = 2.393286681689123 (0.00016702% change)
linmin: converged after 6 iterations.
iteration 1013: trace = 2.393284644429595 (8.5124e-05% change)
large trace change predicted (0.000189203%)
linmin: converged after 6 iterations.
iteration 1014: trace = 2.39328011637136 (0.000189199% change)
linmin: converged after 6 iterations.
iteration 1015: trace = 2.393278287913598 (7.63997e-05% change)
linmin: converged after 4 iterations.
iteration 1016: trace = 2.393276001261386 (9.55448e-05% change)
linmin: converged after 3 iterations.
iteration 1017: trace = 2.393272876472464 (0.000130565% change)
linmin: converged after 4 iterations.
iteration 1018: trace = 2.393272160052428 (2.99347e-05% change)
large trace change predicted (9.79606e-05%)
linmin: converged after 3 iterations.
iteration 1019: trace = 2.393269815718094 (9.79552e-05% change)
linmin: converged after 7 iterations.
iteration 1020: trace = 2.393269067031305 (3.1283e-05% change)
linmin: converged after 7 iterations.
iteration 1021: trace = 2.393268543077747 (2.18928e-05% change)
linmin: converged after 4 iterations.
iteration 1022: trace = 2.393267828019735 (2.98779e-05% change)
linmin: converged after 5 iterations.
iteration 1023: trace = 2.393267385051577 (1.85089e-05% change)
linmin: converged after 4 iterations.
iteration 1024: trace = 2.393266529555258 (3.5746e-05% change)
linmin: converged after 3 iterations.
iteration 1025: trace = 2.39326525341969 (5.33219e-05% change)
linmin: converged after 15 iterations.
iteration 1026: trace = 2.39326441430694 (3.50614e-05% change)
large trace change predicted (0.000101647%)
linmin: converged after 5 iterations.
iteration 1027: trace = 2.393261981570269 (0.000101649% change)
linmin: converged after 5 iterations.
iteration 1028: trace = 2.393260515336318 (6.12651e-05% change)
linmin: converged after 7 iterations.
iteration 1029: trace = 2.393257998417836 (0.000105167% change)
large trace change predicted (0.000247538%)
linmin: converged after 8 iterations.
iteration 1030: trace = 2.393252074643331 (0.00024752% change)
linmin: converged after 8 iterations.
iteration 1031: trace = 2.393250024021437 (8.56835e-05% change)
large trace change predicted (0.000206121%)
linmin: converged after 4 iterations.
iteration 1032: trace = 2.393245091918589 (0.000206084% change)
linmin: converged after 6 iterations.
iteration 1033: trace = 2.393243958621495 (4.7354e-05% change)
linmin: converged after 3 iterations.
iteration 1034: trace = 2.393241934798795 (8.4564e-05% change)
linmin: converged after 9 iterations.
iteration 1035: trace = 2.393240537244809 (5.83959e-05% change)
linmin: converged after 9 iterations.
iteration 1036: trace = 2.39324002778815 (2.12873e-05% change)
large trace change predicted (5.57942e-05%)
linmin: converged after 9 iterations.
iteration 1037: trace = 2.393238692509214 (5.57938e-05% change)
linmin: converged after 6 iterations.
iteration 1038: trace = 2.39323802059479 (2.80755e-05% change)
large trace change predicted (6.07335e-05%)
linmin: converged after 8 iterations.
iteration 1039: trace = 2.393236567069471 (6.07347e-05% change)
linmin: converged after 5 iterations.
iteration 1040: trace = 2.393235119480474 (6.04867e-05% change)
linmin: converged after 4 iterations.
iteration 1041: trace = 2.393233817398129 (5.44068e-05% change)
linmin: converged after 4 iterations.
iteration 1042: trace = 2.393232071761479 (7.29405e-05% change)
linmin: converged after 5 iterations.
iteration 1043: trace = 2.39323128945811 (3.26882e-05% change)
large trace change predicted (8.55472e-05%)
linmin: converged after 4 iterations.
iteration 1044: trace = 2.393229242214166 (8.55431e-05% change)
linmin: converged after 6 iterations.
iteration 1045: trace = 2.393227651783551 (6.64554e-05% change)
linmin: converged after 7 iterations.
iteration 1046: trace = 2.393225663833507 (8.30657e-05% change)
linmin: converged after 6 iterations.
iteration 1047: trace = 2.393222802787842 (0.000119548% change)
linmin: converged after 8 iterations.
iteration 1048: trace = 2.393220864444548 (8.0993e-05% change)
large trace change predicted (0.000271507%)
linmin: converged after 4 iterations.
iteration 1049: trace = 2.393214366687728 (0.000271507% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1050: trace = 2.393210290441174 (0.000170325% change)
linmin: converged after 5 iterations.
iteration 1051: trace = 2.393207576173126 (0.000113415% change)
linmin: converged after 4 iterations.
iteration 1052: trace = 2.393204382090806 (0.000133465% change)
linmin: converged after 6 iterations.
iteration 1053: trace = 2.393203141646405 (5.1832e-05% change)
linmin: converged after 4 iterations.
iteration 1054: trace = 2.393201585559278 (6.50211e-05% change)
linmin: converged after 5 iterations.
iteration 1055: trace = 2.393199555406358 (8.483e-05% change)
linmin: converged after 7 iterations.
iteration 1056: trace = 2.393199048834635 (2.11671e-05% change)
large trace change predicted (6.37928e-05%)
linmin: converged after 4 iterations.
iteration 1057: trace = 2.393197522092076 (6.37951e-05% change)
linmin: converged after 6 iterations.
iteration 1058: trace = 2.393196541303609 (4.09824e-05% change)
linmin: converged after 12 iterations.
iteration 1059: trace = 2.393195711374781 (3.46787e-05% change)
linmin: converged after 7 iterations.
iteration 1060: trace = 2.39319453789427 (4.90341e-05% change)
linmin: converged after 5 iterations.
iteration 1061: trace = 2.393194082956864 (1.90096e-05% change)
large trace change predicted (4.26953e-05%)
linmin: converged after 5 iterations.
iteration 1062: trace = 2.393193061154764 (4.26962e-05% change)
linmin: converged after 13 iterations.
iteration 1063: trace = 2.393192067371938 (4.15254e-05% change)
linmin: converged after 5 iterations.
iteration 1064: trace = 2.393191428683271 (2.66877e-05% change)
large trace change predicted (7.5277e-05%)
linmin: converged after 5 iterations.
iteration 1065: trace = 2.393189627003934 (7.52836e-05% change)
linmin: converged after 5 iterations.
iteration 1066: trace = 2.393188640493396 (4.12216e-05% change)
linmin: converged after 8 iterations.
iteration 1067: trace = 2.393186825198472 (7.58526e-05% change)
large trace change predicted (0.000155663%)
linmin: converged after 7 iterations.
iteration 1068: trace = 2.393183100095089 (0.000155655% change)
linmin: converged after 5 iterations.
iteration 1069: trace = 2.393181932013928 (4.88087e-05% change)
large trace change predicted (0.000120468%)
linmin: converged after 12 iterations.
iteration 1070: trace = 2.393179049354931 (0.000120453% change)
linmin: converged after 4 iterations.
iteration 1071: trace = 2.39317841544213 (2.64883e-05% change)
large trace change predicted (6.14963e-05%)
linmin: converged after 3 iterations.
iteration 1072: trace = 2.393176943830439 (6.1492e-05% change)
linmin: converged after 5 iterations.
iteration 1073: trace = 2.393176128200228 (3.40815e-05% change)
linmin: converged after 4 iterations.
iteration 1074: trace = 2.393175836730765 (1.21792e-05% change)
large trace change predicted (3.12721e-05%)
linmin: converged after 8 iterations.
iteration 1075: trace = 2.393175088311975 (3.1273e-05% change)
linmin: converged after 6 iterations.
iteration 1076: trace = 2.393174836913051 (1.05048e-05% change)
linmin: converged after 5 iterations.
iteration 1077: trace = 2.393174499953542 (1.408e-05% change)
linmin: converged after 8 iterations.
iteration 1078: trace = 2.393173917660776 (2.43314e-05% change)
linmin: converged after 12 iterations.
iteration 1079: trace = 2.393173583806723 (1.39503e-05% change)
large trace change predicted (3.56268e-05%)
linmin: converged after 6 iterations.
iteration 1080: trace = 2.393172731134282 (3.56294e-05% change)
large trace change predicted (7.21561e-05%)
linmin: converged after 4 iterations.
iteration 1081: trace = 2.393171004310397 (7.21563e-05% change)
linmin: converged after 5 iterations.
iteration 1082: trace = 2.393170288825717 (2.98969e-05% change)
large trace change predicted (9.661e-05%)
linmin: converged after 4 iterations.
iteration 1083: trace = 2.393167976850339 (9.66073e-05% change)
linmin: converged after 12 iterations.
iteration 1084: trace = 2.393166861195967 (4.66183e-05% change)
linmin: converged after 4 iterations.
iteration 1085: trace = 2.393164724567955 (8.92804e-05% change)
linmin: converged after 4 iterations.
iteration 1086: trace = 2.393162654720227 (8.649e-05% change)
linmin: converged after 5 iterations.
iteration 1087: trace = 2.393161542554514 (4.64726e-05% change)
large trace change predicted (9.32381e-05%)
linmin: converged after 6 iterations.
iteration 1088: trace = 2.393159311105262 (9.32428e-05% change)
linmin: converged after 5 iterations.
iteration 1089: trace = 2.39315628345993 (0.000126513% change)
linmin: converged after 4 iterations.
iteration 1090: trace = 2.393155423667713 (3.59271e-05% change)
large trace change predicted (8.793e-05%)
linmin: converged after 5 iterations.
iteration 1091: trace = 2.393153319160044 (8.79387e-05% change)
linmin: converged after 5 iterations.
iteration 1092: trace = 2.393152590988818 (3.04273e-05% change)
linmin: converged after 5 iterations.
iteration 1093: trace = 2.393151958891362 (2.64128e-05% change)
linmin: converged after 5 iterations.
iteration 1094: trace = 2.393151108429939 (3.55373e-05% change)
linmin: converged after 5 iterations.
iteration 1095: trace = 2.393150857445542 (1.04876e-05% change)
large trace change predicted (4.02579e-05%)
linmin: converged after 7 iterations.
iteration 1096: trace = 2.393149894031267 (4.02572e-05% change)
linmin: converged after 6 iterations.
iteration 1097: trace = 2.393149149982629 (3.10908e-05% change)
linmin: converged after 15 iterations.
iteration 1098: trace = 2.393148195430912 (3.98869e-05% change)
large trace change predicted (0.000119726%)
linmin: converged after 6 iterations.
iteration 1099: trace = 2.393145330313613 (0.000119722% change)
linmin: converged after 6 iterations.
iteration 1100: trace = 2.393144180958879 (4.8027e-05% change)
large trace change predicted (0.000107822%)
linmin: converged after 6 iterations.
iteration 1101: trace = 2.393141600546532 (0.000107825% change)
linmin: converged after 4 iterations.
iteration 1102: trace = 2.393138867497359 (0.000114203% change)
linmin: converged after 5 iterations.
iteration 1103: trace = 2.393137437991372 (5.97335e-05% change)
linmin: converged after 6 iterations.
iteration 1104: trace = 2.393134889901042 (0.000106475% change)
linmin: converged after 8 iterations.
iteration 1105: trace = 2.393134056875987 (3.4809e-05% change)
large trace change predicted (0.000114227%)
linmin: converged after 6 iterations.
iteration 1106: trace = 2.393131323002051 (0.000114238% change)
linmin: converged after 4 iterations.
iteration 1107: trace = 2.393130471419162 (3.55845e-05% change)
linmin: converged after 4 iterations.
iteration 1108: trace = 2.393129703889396 (3.20722e-05% change)
linmin: converged after 13 iterations.
iteration 1109: trace = 2.393128458007009 (5.20608e-05% change)
linmin: converged after 6 iterations.
iteration 1110: trace = 2.393128111015753 (1.44995e-05% change)
large trace change predicted (4.7851e-05%)
linmin: converged after 7 iterations.
iteration 1111: trace = 2.39312696584973 (4.78523e-05% change)
linmin: converged after 8 iterations.
iteration 1112: trace = 2.3931266391468 (1.36517e-05% change)
large trace change predicted (3.78281e-05%)
linmin: converged after 5 iterations.
iteration 1113: trace = 2.393125733843513 (3.78293e-05% change)
linmin: converged after 5 iterations.
iteration 1114: trace = 2.393125357326621 (1.57333e-05% change)
linmin: converged after 4 iterations.
iteration 1115: trace = 2.39312510143522 (1.06928e-05% change)
linmin: converged after 7 iterations.
iteration 1116: trace = 2.393124646352413 (1.90163e-05% change)
linmin: converged after 8 iterations.
iteration 1117: trace = 2.393124566839406 (3.32256e-06% change)
large trace change predicted (2.60653e-05%)
linmin: converged after 4 iterations.
iteration 1118: trace = 2.393123943067639 (2.60652e-05% change)
linmin: converged after 5 iterations.
iteration 1119: trace = 2.393123292302728 (2.71931e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1120: trace = 2.393122795144083 (2.07745e-05% change)
linmin: converged after 3 iterations.
iteration 1121: trace = 2.393122221499031 (2.39706e-05% change)
linmin: converged after 9 iterations.
iteration 1122: trace = 2.393122026857971 (8.13335e-06% change)
linmin: converged after 9 iterations.
iteration 1123: trace = 2.393121762135788 (1.10618e-05% change)
linmin: converged after 5 iterations.
iteration 1124: trace = 2.393121315690836 (1.86553e-05% change)
linmin: converged after 12 iterations.
iteration 1125: trace = 2.393121043248063 (1.13844e-05% change)
large trace change predicted (2.35221e-05%)
linmin: converged after 4 iterations.
iteration 1126: trace = 2.393120480355973 (2.35213e-05% change)
linmin: converged after 10 iterations.
iteration 1127: trace = 2.393119750018178 (3.05182e-05% change)
linmin: converged after 5 iterations.
iteration 1128: trace = 2.393119411592762 (1.41416e-05% change)
large trace change predicted (4.9348e-05%)
linmin: converged after 8 iterations.
iteration 1129: trace = 2.393118230639719 (4.93479e-05% change)
linmin: converged after 4 iterations.
iteration 1130: trace = 2.393117875081792 (1.48575e-05% change)
large trace change predicted (4.74419e-05%)
linmin: converged after 3 iterations.
iteration 1131: trace = 2.393116739756548 (4.74413e-05% change)
linmin: converged after 5 iterations.
iteration 1132: trace = 2.393115488628403 (5.22803e-05% change)
linmin: converged after 12 iterations.
iteration 1133: trace = 2.393114965220025 (2.18714e-05% change)
large trace change predicted (8.47535e-05%)
linmin: converged after 7 iterations.
iteration 1134: trace = 2.393112937186994 (8.47445e-05% change)
linmin: converged after 4 iterations.
iteration 1135: trace = 2.39311180181349 (4.74434e-05% change)
linmin: converged after 4 iterations.
iteration 1136: trace = 2.393110339065101 (6.11233e-05% change)
linmin: converged after 9 iterations.
iteration 1137: trace = 2.393108472239607 (7.80084e-05% change)
linmin: converged after 5 iterations.
iteration 1138: trace = 2.393107594039128 (3.66971e-05% change)
linmin: converged after 4 iterations.
iteration 1139: trace = 2.393106173298511 (5.9368e-05% change)
linmin: converged after 3 iterations.
iteration 1140: trace = 2.393105006931219 (4.87386e-05% change)
linmin: converged after 8 iterations.
iteration 1141: trace = 2.393104440007796 (2.36899e-05% change)
linmin: converged after 4 iterations.
iteration 1142: trace = 2.393103689050256 (3.13801e-05% change)
linmin: converged after 5 iterations.
iteration 1143: trace = 2.393103499564331 (7.918e-06% change)
large trace change predicted (1.88069e-05%)
linmin: converged after 4 iterations.
iteration 1144: trace = 2.393103049500558 (1.88067e-05% change)
linmin: converged after 5 iterations.
iteration 1145: trace = 2.393102732345627 (1.32529e-05% change)
linmin: converged after 5 iterations.
iteration 1146: trace = 2.393102478486765 (1.06079e-05% change)
large trace change predicted (2.48009e-05%)
linmin: converged after 4 iterations.
iteration 1147: trace = 2.393101884993238 (2.48002e-05% change)
linmin: converged after 4 iterations.
iteration 1148: trace = 2.393101518122005 (1.53304e-05% change)
large trace change predicted (5.74864e-05%)
linmin: converged after 18 iterations.
iteration 1149: trace = 2.393100142463501 (5.74844e-05% change)
linmin: converged after 5 iterations.
iteration 1150: trace = 2.393098797410638 (5.62055e-05% change)
linmin: converged after 7 iterations.
iteration 1151: trace = 2.393098152780351 (2.69371e-05% change)
linmin: converged after 4 iterations.
iteration 1152: trace = 2.393097005977972 (4.79213e-05% change)
linmin: converged after 3 iterations.
iteration 1153: trace = 2.393095935653633 (4.47255e-05% change)
linmin: converged after 5 iterations.
iteration 1154: trace = 2.393095541297538 (1.64789e-05% change)
large trace change predicted (5.49254e-05%)
linmin: converged after 18 iterations.
iteration 1155: trace = 2.393094226921638 (5.49237e-05% change)
linmin: converged after 3 iterations.
iteration 1156: trace = 2.39309396426576 (1.09756e-05% change)
large trace change predicted (3.10945e-05%)
linmin: converged after 10 iterations.
iteration 1157: trace = 2.393093220141118 (3.10947e-05% change)
linmin: converged after 10 iterations.
iteration 1158: trace = 2.39309264554897 (2.40104e-05% change)
linmin: converged after 20 iterations.
iteration 1159: trace = 2.393092448080255 (8.25161e-06% change)
linmin: converged after 4 iterations.
iteration 1160: trace = 2.393092059924631 (1.62198e-05% change)
linmin: converged after 4 iterations.
iteration 1161: trace = 2.393091858329862 (8.42403e-06% change)
linmin: converged after 5 iterations.
iteration 1162: trace = 2.393091720097054 (5.77633e-06% change)
linmin: converged after 3 iterations.
iteration 1163: trace = 2.393091541114908 (7.47912e-06% change)
linmin: converged after 4 iterations.
iteration 1164: trace = 2.393091447694025 (3.90377e-06% change)
large trace change predicted (8.30835e-06%)
linmin: converged after 15 iterations.
iteration 1165: trace = 2.393091248865591 (8.30843e-06% change)
linmin: converged after 10 iterations.
iteration 1166: trace = 2.393090859375185 (1.62756e-05% change)
linmin: converged after 7 iterations.
iteration 1167: trace = 2.393090694880812 (6.87372e-06% change)
large trace change predicted (3.23481e-05%)
linmin: converged after 15 iterations.
iteration 1168: trace = 2.393089920781617 (3.23473e-05% change)
linmin: converged after 17 iterations.
iteration 1169: trace = 2.393088972181016 (3.96392e-05% change)
linmin: converged after 4 iterations.
iteration 1170: trace = 2.393088551654936 (1.75725e-05% change)
large trace change predicted (3.88729e-05%)
linmin: converged after 4 iterations.
iteration 1171: trace = 2.393087621447286 (3.88706e-05% change)
linmin: converged after 4 iterations.
iteration 1172: trace = 2.393087098770607 (2.18411e-05% change)
linmin: converged after 4 iterations.
iteration 1173: trace = 2.393086513505814 (2.44565e-05% change)
linmin: converged after 6 iterations.
iteration 1174: trace = 2.393085756884826 (3.1617e-05% change)
linmin: converged after 19 iterations.
iteration 1175: trace = 2.393085656497844 (4.19488e-06% change)
large trace change predicted (1.52876e-05%)
linmin: converged after 5 iterations.
iteration 1176: trace = 2.39308529065863 (1.52873e-05% change)
linmin: converged after 8 iterations.
iteration 1177: trace = 2.393085151679289 (5.80754e-06% change)
linmin: converged after 5 iterations.
iteration 1178: trace = 2.393084939720825 (8.85712e-06% change)
linmin: converged after 5 iterations.
iteration 1179: trace = 2.393084551457581 (1.62244e-05% change)
linmin: converged after 3 iterations.
iteration 1180: trace = 2.39308438782028 (6.83792e-06% change)
large trace change predicted (1.95492e-05%)
linmin: converged after 6 iterations.
iteration 1181: trace = 2.393083920006672 (1.95486e-05% change)
linmin: converged after 16 iterations.
iteration 1182: trace = 2.3930835389766 (1.59221e-05% change)
linmin: converged after 6 iterations.
iteration 1183: trace = 2.393083287334296 (1.05154e-05% change)
linmin: converged after 5 iterations.
iteration 1184: trace = 2.393082885619513 (1.67865e-05% change)
linmin: converged after 7 iterations.
iteration 1185: trace = 2.393082543878946 (1.42803e-05% change)
linmin: converged after 4 iterations.
iteration 1186: trace = 2.39308201855262 (2.19519e-05% change)
linmin: converged after 5 iterations.
iteration 1187: trace = 2.393081060456546 (4.00361e-05% change)
linmin: converged after 8 iterations.
iteration 1188: trace = 2.393080464286011 (2.49123e-05% change)
large trace change predicted (0.000132277%)
linmin: converged after 4 iterations.
iteration 1189: trace = 2.393077298895951 (0.000132273% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 1190: trace = 2.393076240239254 (4.42383e-05% change)
linmin: converged after 4 iterations.
iteration 1191: trace = 2.393074750140043 (6.22671e-05% change)
linmin: converged after 8 iterations.
iteration 1192: trace = 2.393073809711386 (3.92979e-05% change)
linmin: converged after 18 iterations.
iteration 1193: trace = 2.39307351609799 (1.22693e-05% change)
linmin: converged after 4 iterations.
iteration 1194: trace = 2.393072929586735 (2.45087e-05% change)
linmin: converged after 5 iterations.
iteration 1195: trace = 2.393072566130759 (1.51878e-05% change)
linmin: converged after 6 iterations.
iteration 1196: trace = 2.393072357762494 (8.70714e-06% change)
linmin: converged after 5 iterations.
iteration 1197: trace = 2.393072037362187 (1.33887e-05% change)
linmin: converged after 6 iterations.
iteration 1198: trace = 2.393071930524768 (4.46445e-06% change)
large trace change predicted (9.56957e-06%)
linmin: converged after 4 iterations.
iteration 1199: trace = 2.393071701518167 (9.56957e-06% change)
linmin: converged after 5 iterations.
iteration 1200: trace = 2.39307140753333 (1.22848e-05% change)
linmin: converged after 16 iterations.
iteration 1201: trace = 2.393071323863251 (3.49635e-06% change)
large trace change predicted (1.10284e-05%)
linmin: converged after 5 iterations.
iteration 1202: trace = 2.393071059940076 (1.10286e-05% change)
linmin: converged after 6 iterations.
iteration 1203: trace = 2.393070926133761 (5.59141e-06% change)
linmin: converged after 4 iterations.
iteration 1204: trace = 2.393070793781081 (5.53066e-06% change)
large trace change predicted (1.58304e-05%)
linmin: converged after 4 iterations.
iteration 1205: trace = 2.393070414942804 (1.58306e-05% change)
linmin: converged after 4 iterations.
iteration 1206: trace = 2.393070263111629 (6.34462e-06% change)
linmin: converged after 19 iterations.
iteration 1207: trace = 2.393069975221526 (1.20302e-05% change)
large trace change predicted (2.95267e-05%)
linmin: converged after 7 iterations.
iteration 1208: trace = 2.393069268622976 (2.95269e-05% change)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.393069118002479 (6.29403e-06% change)
large trace change predicted (2.71235e-05%)
linmin: converged after 17 iterations.
iteration 1210: trace = 2.393068468921886 (2.71234e-05% change)
linmin: converged after 5 iterations.
iteration 1211: trace = 2.393068209934187 (1.08224e-05% change)
linmin: converged after 6 iterations.
iteration 1212: trace = 2.393067826420286 (1.6026e-05% change)
linmin: converged after 5 iterations.
iteration 1213: trace = 2.39306755074399 (1.15198e-05% change)
linmin: converged after 5 iterations.
iteration 1214: trace = 2.393067481258047 (2.90363e-06% change)
large trace change predicted (6.62382e-06%)
linmin: converged after 7 iterations.
iteration 1215: trace = 2.393067322743694 (6.6239e-06% change)
linmin: converged after 9 iterations.
iteration 1216: trace = 2.393067247866624 (3.12892e-06% change)
linmin: converged after 4 iterations.
iteration 1217: trace = 2.393067201984167 (1.91731e-06% change)
large trace change predicted (5.75137e-06%)
linmin: converged after 5 iterations.
iteration 1218: trace = 2.393067064347898 (5.75146e-06% change)
linmin: converged after 4 iterations.
iteration 1219: trace = 2.393067013798175 (2.11234e-06% change)
large trace change predicted (6.27588e-06%)
linmin: converged after 4 iterations.
iteration 1220: trace = 2.393066863611985 (6.27589e-06% change)
linmin: converged after 5 iterations.
iteration 1221: trace = 2.393066564182733 (1.25124e-05% change)
linmin: converged after 5 iterations.
iteration 1222: trace = 2.39306644592344 (4.94175e-06% change)
large trace change predicted (1.84633e-05%)
linmin: converged after 6 iterations.
iteration 1223: trace = 2.393066004079361 (1.84635e-05% change)
linmin: converged after 5 iterations.
iteration 1224: trace = 2.393065760666671 (1.01716e-05% change)
large trace change predicted (2.08722e-05%)
linmin: converged after 6 iterations.
iteration 1225: trace = 2.393065261168879 (2.08727e-05% change)
linmin: converged after 4 iterations.
iteration 1226: trace = 2.393064858116487 (1.68425e-05% change)
linmin: converged after 4 iterations.
iteration 1227: trace = 2.393064647187562 (8.81418e-06% change)
large trace change predicted (2.02102e-05%)
linmin: converged after 12 iterations.
iteration 1228: trace = 2.39306416354039 (2.02104e-05% change)
linmin: converged after 5 iterations.
iteration 1229: trace = 2.393063626688344 (2.24337e-05% change)
linmin: converged after 5 iterations.
iteration 1230: trace = 2.393063278698965 (1.45416e-05% change)
linmin: converged after 5 iterations.
iteration 1231: trace = 2.393062704453462 (2.39963e-05% change)
linmin: converged after 4 iterations.
iteration 1232: trace = 2.39306257817967 (5.27666e-06% change)
linmin: converged after 5 iterations.
iteration 1233: trace = 2.393062375079716 (8.48703e-06% change)
linmin: converged after 5 iterations.
iteration 1234: trace = 2.393062226591907 (6.20493e-06% change)
linmin: converged after 13 iterations.
iteration 1235: trace = 2.393062150715249 (3.17069e-06% change)
large trace change predicted (7.1653e-06%)
linmin: converged after 4 iterations.
iteration 1236: trace = 2.393061979244249 (7.16534e-06% change)
linmin: converged after 10 iterations.
iteration 1237: trace = 2.393061908567113 (2.95342e-06% change)
large trace change predicted (1.09655e-05%)
linmin: converged after 13 iterations.
iteration 1238: trace = 2.393061646153985 (1.09656e-05% change)
linmin: converged after 5 iterations.
iteration 1239: trace = 2.393061357126682 (1.20777e-05% change)
linmin: converged after 5 iterations.
iteration 1240: trace = 2.39306106810203 (1.20776e-05% change)
linmin: converged after 5 iterations.
iteration 1241: trace = 2.393060602970678 (1.94367e-05% change)
linmin: converged after 4 iterations.
iteration 1242: trace = 2.3930602614582 (1.4271e-05% change)
linmin: converged after 6 iterations.
iteration 1243: trace = 2.393059776248598 (2.02757e-05% change)
linmin: converged after 5 iterations.
iteration 1244: trace = 2.393059160145531 (2.57454e-05% change)
linmin: converged after 7 iterations.
iteration 1245: trace = 2.393058912697326 (1.03402e-05% change)
large trace change predicted (2.06885e-05%)
linmin: converged after 9 iterations.
iteration 1246: trace = 2.39305841758815 (2.06894e-05% change)
linmin: converged after 5 iterations.
iteration 1247: trace = 2.393058288110684 (5.41054e-06% change)
large trace change predicted (1.13421e-05%)
linmin: converged after 2 iterations.
iteration 1248: trace = 2.393058016687091 (1.13421e-05% change)
linmin: converged after 4 iterations.
iteration 1249: trace = 2.393057784387755 (9.70722e-06% change)
linmin: converged after 4 iterations.
iteration 1250: trace = 2.393057694039186 (3.77544e-06% change)
large trace change predicted (1.12147e-05%)
linmin: converged after 4 iterations.
iteration 1251: trace = 2.393057425664721 (1.12147e-05% change)
linmin: converged after 6 iterations.
iteration 1252: trace = 2.393057344262602 (3.40159e-06% change)
large trace change predicted (7.092e-06%)
linmin: converged after 4 iterations.
iteration 1253: trace = 2.393057174544058 (7.09212e-06% change)
linmin: converged after 20 iterations.
iteration 1254: trace = 2.39305706377123 (4.62893e-06% change)
linmin: converged after 5 iterations.
iteration 1255: trace = 2.393057004024575 (2.49667e-06% change)
linmin: converged after 4 iterations.
iteration 1256: trace = 2.39305691958685 (3.52845e-06% change)
linmin: converged after 7 iterations.
iteration 1257: trace = 2.393056878822534 (1.70344e-06% change)
linmin: converged after 5 iterations.
iteration 1258: trace = 2.39305681617839 (2.61775e-06% change)
large trace change predicted (5.79016e-06%)
linmin: converged after 15 iterations.
iteration 1259: trace = 2.393056677618627 (5.79007e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1260: trace = 2.393056615081571 (2.61327e-06% change)
linmin: converged after 4 iterations.
iteration 1261: trace = 2.393056537874384 (3.2263e-06% change)
linmin: converged after 5 iterations.
iteration 1262: trace = 2.393056476760083 (2.55382e-06% change)
linmin: converged after 3 iterations.
iteration 1263: trace = 2.393056445828446 (1.29256e-06% change)
large trace change predicted (3.23548e-06%)
linmin: converged after 4 iterations.
iteration 1264: trace = 2.393056368401015 (3.2355e-06% change)
linmin: converged after 7 iterations.
iteration 1265: trace = 2.393056228587454 (5.84247e-06% change)
linmin: converged after 4 iterations.
iteration 1266: trace = 2.393056180500727 (2.00943e-06% change)
large trace change predicted (7.96015e-06%)
linmin: converged after 5 iterations.
iteration 1267: trace = 2.393055990013713 (7.95999e-06% change)
linmin: converged after 4 iterations.
iteration 1268: trace = 2.393055894830834 (3.97746e-06% change)
linmin: converged after 14 iterations.
iteration 1269: trace = 2.393055738068435 (6.55072e-06% change)
linmin: converged after 12 iterations.
iteration 1270: trace = 2.393055559474342 (7.46301e-06% change)
linmin: converged after 5 iterations.
iteration 1271: trace = 2.393055446448873 (4.72306e-06% change)
large trace change predicted (1.0583e-05%)
linmin: converged after 4 iterations.
iteration 1272: trace = 2.393055193199412 (1.05827e-05% change)
linmin: converged after 4 iterations.
iteration 1273: trace = 2.393054815707878 (1.57745e-05% change)
linmin: converged after 11 iterations.
iteration 1274: trace = 2.393054697166692 (4.95355e-06% change)
large trace change predicted (1.88963e-05%)
linmin: converged after 6 iterations.
iteration 1275: trace = 2.393054244993206 (1.88952e-05% change)
linmin: converged after 4 iterations.
iteration 1276: trace = 2.393053985666967 (1.08366e-05% change)
linmin: converged after 4 iterations.
iteration 1277: trace = 2.393053817100578 (7.04399e-06% change)
large trace change predicted (1.72193e-05%)
linmin: converged after 5 iterations.
iteration 1278: trace = 2.393053405038393 (1.72191e-05% change)
linmin: converged after 7 iterations.
iteration 1279: trace = 2.39305330651077 (4.11723e-06% change)
large trace change predicted (1.10084e-05%)
linmin: converged after 7 iterations.
iteration 1280: trace = 2.39305304307857 (1.10082e-05% change)
linmin: converged after 12 iterations.
iteration 1281: trace = 2.393052973546367 (2.90559e-06% change)
large trace change predicted (5.81259e-06%)
linmin: converged after 7 iterations.
iteration 1282: trace = 2.393052834449853 (5.81251e-06% change)
linmin: converged after 4 iterations.
iteration 1283: trace = 2.393052788630628 (1.91468e-06% change)
linmin: converged after 12 iterations.
iteration 1284: trace = 2.393052698068568 (3.78437e-06% change)
linmin: converged after 7 iterations.
iteration 1285: trace = 2.393052666944639 (1.3006e-06% change)
large trace change predicted (3.6287e-06%)
linmin: converged after 4 iterations.
iteration 1286: trace = 2.393052580108233 (3.62869e-06% change)
linmin: converged after 5 iterations.
iteration 1287: trace = 2.393052534726269 (1.8964e-06% change)
large trace change predicted (5.44108e-06%)
linmin: converged after 13 iterations.
iteration 1288: trace = 2.393052404519425 (5.44104e-06% change)
linmin: converged after 5 iterations.
iteration 1289: trace = 2.393052313475159 (3.80452e-06% change)
large trace change predicted (1.11147e-05%)
linmin: converged after 3 iterations.
iteration 1290: trace = 2.393052047496551 (1.11146e-05% change)
linmin: converged after 3 iterations.
iteration 1291: trace = 2.393051891885403 (6.50262e-06% change)
linmin: converged after 4 iterations.
iteration 1292: trace = 2.393051718982003 (7.22523e-06% change)
linmin: converged after 7 iterations.
iteration 1293: trace = 2.39305143063593 (1.20493e-05% change)
linmin: converged after 4 iterations.
iteration 1294: trace = 2.393051301111332 (5.41253e-06% change)
linmin: converged after 10 iterations.
iteration 1295: trace = 2.393051073815899 (9.49814e-06% change)
linmin: converged after 8 iterations.
iteration 1296: trace = 2.393050980766919 (3.8883e-06% change)
large trace change predicted (8.42128e-06%)
linmin: converged after 5 iterations.
iteration 1297: trace = 2.393050779248155 (8.421e-06% change)
linmin: converged after 20 iterations.
iteration 1298: trace = 2.393050700075646 (3.30843e-06% change)
linmin: converged after 4 iterations.
iteration 1299: trace = 2.393050577158003 (5.13644e-06% change)
linmin: converged after 5 iterations.
iteration 1300: trace = 2.393050512685025 (2.69418e-06% change)
large trace change predicted (5.60134e-06%)
linmin: converged after 10 iterations.
iteration 1301: trace = 2.393050378643705 (5.60127e-06% change)
linmin: converged after 16 iterations.
iteration 1302: trace = 2.393050309818964 (2.87603e-06% change)
linmin: converged after 22 iterations.
iteration 1303: trace = 2.393050263643945 (1.92955e-06% change)
linmin: converged after 4 iterations.
iteration 1304: trace = 2.393050220657166 (1.79632e-06% change)
linmin: converged after 10 iterations.
iteration 1305: trace = 2.393050203526576 (7.15847e-07% change)
linmin: converged after 4 iterations.
iteration 1306: trace = 2.3930501758973 (1.15456e-06% change)
linmin: converged after 4 iterations.
iteration 1307: trace = 2.393050131205801 (1.86755e-06% change)
linmin: converged after 5 iterations.
iteration 1308: trace = 2.393050089127964 (1.75833e-06% change)
large trace change predicted (4.20362e-06%)
linmin: converged after 6 iterations.
iteration 1309: trace = 2.393049988533434 (4.20361e-06% change)
linmin: converged after 4 iterations.
iteration 1310: trace = 2.393049937494488 (2.1328e-06% change)
large trace change predicted (8.69199e-06%)
linmin: converged after 9 iterations.
iteration 1311: trace = 2.393049729492954 (8.6919e-06% change)
linmin: converged after 4 iterations.
iteration 1312: trace = 2.393049607969515 (5.07818e-06% change)
linmin: converged after 4 iterations.
iteration 1313: trace = 2.393049501404847 (4.45309e-06% change)
linmin: converged after 4 iterations.
iteration 1314: trace = 2.393049323187542 (7.44729e-06% change)
linmin: converged after 4 iterations.
iteration 1315: trace = 2.39304926248731 (2.53652e-06% change)
large trace change predicted (7.06838e-06%)
linmin: converged after 4 iterations.
iteration 1316: trace = 2.393049093338875 (7.06832e-06% change)
linmin: converged after 4 iterations.
iteration 1317: trace = 2.393049058766344 (1.44471e-06% change)
large trace change predicted (4.27578e-06%)
linmin: converged after 4 iterations.
iteration 1318: trace = 2.393048956446813 (4.2757e-06% change)
linmin: converged after 4 iterations.
iteration 1319: trace = 2.393048927188473 (1.22264e-06% change)
linmin: converged after 10 iterations.
iteration 1320: trace = 2.393048899655163 (1.15055e-06% change)
large trace change predicted (2.34947e-06%)
linmin: converged after 4 iterations.
iteration 1321: trace = 2.393048843431763 (2.34945e-06% change)
linmin: converged after 4 iterations.
iteration 1322: trace = 2.393048816737902 (1.11547e-06% change)
large trace change predicted (3.55362e-06%)
linmin: converged after 5 iterations.
iteration 1323: trace = 2.393048731698826 (3.55359e-06% change)
linmin: converged after 4 iterations.
iteration 1324: trace = 2.393048703664522 (1.17149e-06% change)
large trace change predicted (3.85066e-06%)
linmin: converged after 7 iterations.
iteration 1325: trace = 2.393048611517881 (3.8506e-06% change)
linmin: converged after 4 iterations.
iteration 1326: trace = 2.393048579464149 (1.33945e-06% change)
large trace change predicted (3.0756e-06%)
linmin: converged after 4 iterations.
iteration 1327: trace = 2.393048505863385 (3.07561e-06% change)
linmin: converged after 10 iterations.
iteration 1328: trace = 2.393048443971334 (2.58633e-06% change)
linmin: converged after 7 iterations.
iteration 1329: trace = 2.393048381534923 (2.60907e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1330: trace = 2.393048328290756 (2.22495e-06% change)
linmin: converged after 4 iterations.
iteration 1331: trace = 2.393048299015218 (1.22336e-06% change)
large trace change predicted (2.55996e-06%)
linmin: converged after 4 iterations.
iteration 1332: trace = 2.393048237753289 (2.56e-06% change)
linmin: converged after 7 iterations.
iteration 1333: trace = 2.393048197191078 (1.695e-06% change)
linmin: converged after 6 iterations.
iteration 1334: trace = 2.393048129759274 (2.81782e-06% change)
linmin: converged after 5 iterations.
iteration 1335: trace = 2.393048041225096 (3.69964e-06% change)
linmin: converged after 10 iterations.
iteration 1336: trace = 2.393047995579124 (1.90744e-06% change)
linmin: converged after 7 iterations.
iteration 1337: trace = 2.393047932543754 (2.6341e-06% change)
linmin: converged after 4 iterations.
iteration 1338: trace = 2.393047913875658 (7.80097e-07% change)
linmin: converged after 4 iterations.
iteration 1339: trace = 2.393047876559465 (1.55936e-06% change)
linmin: converged after 9 iterations.
iteration 1340: trace = 2.393047856457463 (8.40017e-07% change)
large trace change predicted (2.36425e-06%)
linmin: converged after 4 iterations.
iteration 1341: trace = 2.393047799879071 (2.36428e-06% change)
linmin: converged after 4 iterations.
iteration 1342: trace = 2.393047772283724 (1.15315e-06% change)
large trace change predicted (3.23171e-06%)
linmin: converged after 7 iterations.
iteration 1343: trace = 2.393047694946287 (3.23175e-06% change)
linmin: converged after 5 iterations.
iteration 1344: trace = 2.393047596511027 (4.11338e-06% change)
linmin: converged after 5 iterations.
iteration 1345: trace = 2.393047474833821 (5.08461e-06% change)
linmin: converged after 11 iterations.
iteration 1346: trace = 2.393047338806019 (5.68429e-06% change)
linmin: converged after 4 iterations.
iteration 1347: trace = 2.393047257982458 (3.37743e-06% change)
linmin: converged after 4 iterations.
iteration 1348: trace = 2.393047135550511 (5.11615e-06% change)
linmin: converged after 14 iterations.
iteration 1349: trace = 2.393047097102274 (1.60666e-06% change)
large trace change predicted (3.51195e-06%)
linmin: converged after 4 iterations.
iteration 1350: trace = 2.39304701305934 (3.51196e-06% change)
linmin: converged after 4 iterations.
iteration 1351: trace = 2.393046984576715 (1.19022e-06% change)
linmin: converged after 6 iterations.
iteration 1352: trace = 2.393046931180142 (2.23132e-06% change)
linmin: converged after 5 iterations.
iteration 1353: trace = 2.393046915962283 (6.3592e-07% change)
linmin: converged after 4 iterations.
iteration 1354: trace = 2.393046897778245 (7.5987e-07% change)
linmin: converged after 4 iterations.
iteration 1355: trace = 2.393046878039405 (8.24841e-07% change)
linmin: converged after 4 iterations.
iteration 1356: trace = 2.393046866874994 (4.66535e-07% change)
large trace change predicted (1.46683e-06%)
linmin: converged after 4 iterations.
iteration 1357: trace = 2.393046831773244 (1.46682e-06% change)
linmin: converged after 4 iterations.
iteration 1358: trace = 2.393046814533188 (7.20423e-07% change)
large trace change predicted (3.20676e-06%)
linmin: converged after 4 iterations.
iteration 1359: trace = 2.393046737793498 (3.20678e-06% change)
linmin: converged after 4 iterations.
iteration 1360: trace = 2.393046708205591 (1.23641e-06% change)
large trace change predicted (4.33715e-06%)
linmin: converged after 4 iterations.
iteration 1361: trace = 2.39304660441495 (4.33718e-06% change)
linmin: converged after 11 iterations.
iteration 1362: trace = 2.393046566447987 (1.58655e-06% change)
large trace change predicted (5.08932e-06%)
linmin: converged after 5 iterations.
iteration 1363: trace = 2.393046444655694 (5.08942e-06% change)
linmin: converged after 5 iterations.
iteration 1364: trace = 2.393046383381343 (2.56052e-06% change)
linmin: converged after 18 iterations.
iteration 1365: trace = 2.393046267203792 (4.8548e-06% change)
linmin: converged after 4 iterations.
iteration 1366: trace = 2.393046218720034 (2.02603e-06% change)
linmin: converged after 5 iterations.
iteration 1367: trace = 2.393046139102549 (3.32704e-06% change)
linmin: converged after 4 iterations.
iteration 1368: trace = 2.393046039867581 (4.14681e-06% change)
linmin: converged after 4 iterations.
iteration 1369: trace = 2.393046002691606 (1.5535e-06% change)
large trace change predicted (4.61047e-06%)
linmin: converged after 7 iterations.
iteration 1370: trace = 2.39304589235923 (4.61054e-06% change)
linmin: converged after 8 iterations.
iteration 1371: trace = 2.39304585265538 (1.65913e-06% change)
large trace change predicted (3.91846e-06%)
linmin: converged after 2 iterations.
iteration 1372: trace = 2.393045758883969 (3.9185e-06% change)
linmin: converged after 4 iterations.
iteration 1373: trace = 2.393045702494113 (2.35641e-06% change)
linmin: converged after 6 iterations.
iteration 1374: trace = 2.393045627622473 (3.12872e-06% change)
linmin: converged after 4 iterations.
iteration 1375: trace = 2.393045587604463 (1.67226e-06% change)
linmin: converged after 4 iterations.
iteration 1376: trace = 2.393045559868877 (1.15901e-06% change)
linmin: converged after 6 iterations.
iteration 1377: trace = 2.393045517257147 (1.78065e-06% change)
linmin: converged after 4 iterations.
iteration 1378: trace = 2.393045504406508 (5.36999e-07% change)
large trace change predicted (1.65131e-06%)
linmin: converged after 6 iterations.
iteration 1379: trace = 2.393045464889901 (1.65131e-06% change)
linmin: converged after 4 iterations.
iteration 1380: trace = 2.3930454486097 (6.80313e-07% change)
large trace change predicted (2.07446e-06%)
linmin: converged after 4 iterations.
iteration 1381: trace = 2.393045398966872 (2.07446e-06% change)
linmin: converged after 4 iterations.
iteration 1382: trace = 2.393045369916776 (1.21394e-06% change)
large trace change predicted (3.85259e-06%)
linmin: converged after 4 iterations.
iteration 1383: trace = 2.39304527772303 (3.85257e-06% change)
linmin: converged after 7 iterations.
iteration 1384: trace = 2.393045250595841 (1.13358e-06% change)
large trace change predicted (5.11718e-06%)
linmin: converged after 2 iterations.
iteration 1385: trace = 2.393045128139787 (5.11716e-06% change)
linmin: converged after 4 iterations.
iteration 1386: trace = 2.393045070773681 (2.3972e-06% change)
linmin: converged after 4 iterations.
iteration 1387: trace = 2.393044972639807 (4.1008e-06% change)
linmin: converged after 6 iterations.
iteration 1388: trace = 2.393044886836283 (3.58554e-06% change)
linmin: converged after 5 iterations.
iteration 1389: trace = 2.393044837888691 (2.04541e-06% change)
large trace change predicted (4.93033e-06%)
linmin: converged after 20 iterations.
iteration 1390: trace = 2.393044719900148 (4.93048e-06% change)
linmin: converged after 5 iterations.
iteration 1391: trace = 2.393044676916462 (1.79619e-06% change)
linmin: converged after 6 iterations.
iteration 1392: trace = 2.393044599321871 (3.2425e-06% change)
linmin: converged after 8 iterations.
iteration 1393: trace = 2.393044558794039 (1.69357e-06% change)
linmin: converged after 5 iterations.
iteration 1394: trace = 2.39304453182369 (1.12703e-06% change)
large trace change predicted (3.21347e-06%)
linmin: converged after 14 iterations.
iteration 1395: trace = 2.393044454923096 (3.2135e-06% change)
linmin: converged after 10 iterations.
iteration 1396: trace = 2.393044427490997 (1.14633e-06% change)
linmin: converged after 17 iterations.
iteration 1397: trace = 2.39304440311078 (1.01879e-06% change)
linmin: converged after 4 iterations.
iteration 1398: trace = 2.393044358744777 (1.85396e-06% change)
linmin: converged after 10 iterations.
iteration 1399: trace = 2.393044343179163 (6.50452e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1400: trace = 2.393044317327115 (1.0803e-06% change)
linmin: converged after 7 iterations.
iteration 1401: trace = 2.393044305443318 (4.96597e-07% change)
large trace change predicted (1.44587e-06%)
linmin: converged after 9 iterations.
iteration 1402: trace = 2.393044270842982 (1.44587e-06% change)
linmin: converged after 4 iterations.
iteration 1403: trace = 2.393044258847891 (5.01248e-07% change)
large trace change predicted (1.16614e-06%)
linmin: converged after 4 iterations.
iteration 1404: trace = 2.393044230941894 (1.16613e-06% change)
linmin: converged after 5 iterations.
iteration 1405: trace = 2.393044209751821 (8.85486e-07% change)
linmin: converged after 4 iterations.
iteration 1406: trace = 2.393044196817415 (5.405e-07% change)
linmin: converged after 4 iterations.
iteration 1407: trace = 2.393044176109413 (8.65341e-07% change)
linmin: converged after 4 iterations.
iteration 1408: trace = 2.393044165731455 (4.33672e-07% change)
large trace change predicted (1.11444e-06%)
linmin: converged after 9 iterations.
iteration 1409: trace = 2.39304413906244 (1.11444e-06% change)
linmin: converged after 4 iterations.
iteration 1410: trace = 2.39304409266283 (1.93894e-06% change)
linmin: converged after 7 iterations.
iteration 1411: trace = 2.393044078486318 (5.92405e-07% change)
large trace change predicted (2.66756e-06%)
linmin: converged after 4 iterations.
iteration 1412: trace = 2.393044014650757 (2.66755e-06% change)
linmin: converged after 13 iterations.
iteration 1413: trace = 2.393043996954741 (7.39477e-07% change)
large trace change predicted (3.02008e-06%)
linmin: converged after 4 iterations.
iteration 1414: trace = 2.393043924683424 (3.02006e-06% change)
linmin: converged after 22 iterations.
iteration 1415: trace = 2.393043867848928 (2.37499e-06% change)
linmin: converged after 6 iterations.
iteration 1416: trace = 2.393043789572758 (3.27099e-06% change)
linmin: converged after 4 iterations.
iteration 1417: trace = 2.393043680263648 (4.56779e-06% change)
linmin: converged after 4 iterations.
iteration 1418: trace = 2.393043604443347 (3.16836e-06% change)
large trace change predicted (7.53611e-06%)
linmin: converged after 5 iterations.
iteration 1419: trace = 2.393043424104625 (7.53596e-06% change)
linmin: converged after 5 iterations.
iteration 1420: trace = 2.39304335850579 (2.74123e-06% change)
linmin: converged after 4 iterations.
iteration 1421: trace = 2.393043254417022 (4.34964e-06% change)
linmin: converged after 7 iterations.
iteration 1422: trace = 2.393043214948686 (1.64929e-06% change)
linmin: converged after 4 iterations.
iteration 1423: trace = 2.393043156058355 (2.4609e-06% change)
linmin: converged after 7 iterations.
iteration 1424: trace = 2.393043140534718 (6.48699e-07% change)
large trace change predicted (1.5403e-06%)
linmin: converged after 4 iterations.
iteration 1425: trace = 2.393043103674845 (1.54029e-06% change)
linmin: converged after 4 iterations.
iteration 1426: trace = 2.393043096206218 (3.12097e-07% change)
large trace change predicted (1.23265e-06%)
linmin: converged after 4 iterations.
iteration 1427: trace = 2.393043066708647 (1.23264e-06% change)
linmin: converged after 4 iterations.
iteration 1428: trace = 2.393043056058448 (4.45048e-07% change)
linmin: converged after 4 iterations.
iteration 1429: trace = 2.393043039632064 (6.86422e-07% change)
linmin: converged after 8 iterations.
iteration 1430: trace = 2.393043027183602 (5.20194e-07% change)
linmin: converged after 7 iterations.
iteration 1431: trace = 2.393043008271917 (7.90278e-07% change)
linmin: converged after 4 iterations.
iteration 1432: trace = 2.39304298706774 (8.86076e-07% change)
linmin: converged after 4 iterations.
iteration 1433: trace = 2.393042975421163 (4.86685e-07% change)
large trace change predicted (1.02001e-06%)
linmin: converged after 4 iterations.
iteration 1434: trace = 2.393042951012751 (1.01997e-06% change)
linmin: converged after 4 iterations.
iteration 1435: trace = 2.393042942802929 (3.4307e-07% change)
large trace change predicted (1.14417e-06%)
linmin: converged after 4 iterations.
iteration 1436: trace = 2.393042915422527 (1.14417e-06% change)
linmin: converged after 4 iterations.
iteration 1437: trace = 2.393042901946042 (5.63153e-07% change)
linmin: converged after 4 iterations.
iteration 1438: trace = 2.393042881506296 (8.54132e-07% change)
linmin: converged after 6 iterations.
iteration 1439: trace = 2.393042848905756 (1.3623e-06% change)
linmin: converged after 4 iterations.
iteration 1440: trace = 2.393042831795804 (7.14987e-07% change)
large trace change predicted (1.90196e-06%)
linmin: converged after 4 iterations.
iteration 1441: trace = 2.393042786282017 (1.90192e-06% change)
linmin: converged after 5 iterations.
iteration 1442: trace = 2.393042762916123 (9.76409e-07% change)
large trace change predicted (2.96397e-06%)
linmin: converged after 4 iterations.
iteration 1443: trace = 2.393042691987336 (2.96396e-06% change)
linmin: converged after 4 iterations.
iteration 1444: trace = 2.393042661584713 (1.27046e-06% change)
linmin: converged after 6 iterations.
iteration 1445: trace = 2.393042635600736 (1.08581e-06% change)
linmin: converged after 4 iterations.
iteration 1446: trace = 2.393042584170177 (2.14917e-06% change)
linmin: converged after 7 iterations.
iteration 1447: trace = 2.393042571609209 (5.24895e-07% change)
linmin: converged after 5 iterations.
iteration 1448: trace = 2.39304254672289 (1.03994e-06% change)
linmin: converged after 4 iterations.
iteration 1449: trace = 2.393042537491473 (3.85761e-07% change)
linmin: converged after 4 iterations.
iteration 1450: trace = 2.393042523151057 (5.99255e-07% change)
linmin: converged after 4 iterations.
iteration 1451: trace = 2.393042515401576 (3.23834e-07% change)
linmin: converged after 5 iterations.
iteration 1452: trace = 2.393042508762096 (2.77449e-07% change)
linmin: converged after 5 iterations.
iteration 1453: trace = 2.393042498119603 (4.44726e-07% change)
linmin: converged after 4 iterations.
iteration 1454: trace = 2.393042495550245 (1.07368e-07% change)
large trace change predicted (3.63934e-07%)
linmin: converged after 4 iterations.
iteration 1455: trace = 2.393042486840826 (3.63948e-07% change)
linmin: converged after 15 iterations.
iteration 1456: trace = 2.393042482976052 (1.615e-07% change)
large trace change predicted (4.02781e-07%)
linmin: converged after 4 iterations.
iteration 1457: trace = 2.393042473337595 (4.0277e-07% change)
linmin: converged after 4 iterations.
iteration 1458: trace = 2.393042466889655 (2.69445e-07% change)
large trace change predicted (6.96831e-07%)
linmin: converged after 6 iterations.
iteration 1459: trace = 2.393042450214296 (6.96827e-07% change)
linmin: converged after 13 iterations.
iteration 1460: trace = 2.393042435095394 (6.31786e-07% change)
large trace change predicted (1.29455e-06%)
linmin: converged after 4 iterations.
iteration 1461: trace = 2.393042404115828 (1.29457e-06% change)
linmin: converged after 4 iterations.
iteration 1462: trace = 2.393042360797549 (1.81018e-06% change)
linmin: converged after 5 iterations.
iteration 1463: trace = 2.393042331725098 (1.21487e-06% change)
large trace change predicted (2.61606e-06%)
linmin: converged after 4 iterations.
iteration 1464: trace = 2.3930422691221 (2.61604e-06% change)
linmin: converged after 4 iterations.
iteration 1465: trace = 2.393042245090208 (1.00424e-06% change)
linmin: converged after 4 iterations.
iteration 1466: trace = 2.393042202360237 (1.78559e-06% change)
linmin: converged after 4 iterations.
iteration 1467: trace = 2.393042186873802 (6.47144e-07% change)
linmin: converged after 4 iterations.
iteration 1468: trace = 2.393042159970332 (1.12424e-06% change)
linmin: converged after 7 iterations.
iteration 1469: trace = 2.393042147368954 (5.26584e-07% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 1470: trace = 2.393042136548106 (4.5218e-07% change)
linmin: converged after 5 iterations.
iteration 1471: trace = 2.393042120431873 (6.73462e-07% change)
linmin: converged after 13 iterations.
iteration 1472: trace = 2.393042100687925 (8.25056e-07% change)
linmin: converged after 10 iterations.
iteration 1473: trace = 2.393042086277536 (6.02179e-07% change)
large trace change predicted (1.28027e-06%)
linmin: converged after 11 iterations.
iteration 1474: trace = 2.393042055640114 (1.28027e-06% change)
linmin: converged after 4 iterations.
iteration 1475: trace = 2.393042046666956 (3.74969e-07% change)
large trace change predicted (1.10879e-06%)
linmin: converged after 4 iterations.
iteration 1476: trace = 2.393042020132585 (1.10881e-06% change)
linmin: converged after 6 iterations.
iteration 1477: trace = 2.393042014240082 (2.46235e-07% change)
large trace change predicted (5.5522e-07%)
linmin: converged after 4 iterations.
iteration 1478: trace = 2.393042000952688 (5.55251e-07% change)
linmin: converged after 9 iterations.
iteration 1479: trace = 2.393041993325322 (3.18731e-07% change)
linmin: converged after 4 iterations.
iteration 1480: trace = 2.393041985948087 (3.08279e-07% change)
large trace change predicted (6.94694e-07%)
linmin: converged after 5 iterations.
iteration 1481: trace = 2.393041969323515 (6.94705e-07% change)
linmin: converged after 4 iterations.
iteration 1482: trace = 2.39304195675522 (5.25202e-07% change)
large trace change predicted (1.11844e-06%)
linmin: converged after 3 iterations.
iteration 1483: trace = 2.393041929990341 (1.11845e-06% change)
linmin: converged after 6 iterations.
iteration 1484: trace = 2.393041881010526 (2.04676e-06% change)
linmin: converged after 4 iterations.
iteration 1485: trace = 2.393041865018243 (6.68283e-07% change)
large trace change predicted (1.95539e-06%)
linmin: converged after 4 iterations.
iteration 1486: trace = 2.393041818225622 (1.95536e-06% change)
linmin: converged after 4 iterations.
iteration 1487: trace = 2.393041786233193 (1.33689e-06% change)
linmin: converged after 4 iterations.
iteration 1488: trace = 2.393041764731115 (8.98525e-07% change)
linmin: converged after 4 iterations.
iteration 1489: trace = 2.393041732595506 (1.34288e-06% change)
linmin: converged after 5 iterations.
iteration 1490: trace = 2.393041726403632 (2.58745e-07% change)
large trace change predicted (6.73454e-07%)
linmin: converged after 4 iterations.
iteration 1491: trace = 2.393041710287322 (6.73465e-07% change)
linmin: converged after 3 iterations.
iteration 1492: trace = 2.39304170358024 (2.80274e-07% change)
linmin: converged after 4 iterations.
iteration 1493: trace = 2.39304169836967 (2.17738e-07% change)
linmin: converged after 4 iterations.
iteration 1494: trace = 2.393041688544389 (4.10577e-07% change)
linmin: converged after 4 iterations.
iteration 1495: trace = 2.39304168054873 (3.34121e-07% change)
linmin: converged after 4 iterations.
iteration 1496: trace = 2.393041670164577 (4.33931e-07% change)
linmin: converged after 4 iterations.
iteration 1497: trace = 2.393041649895999 (8.4698e-07% change)
linmin: converged after 3 iterations.
iteration 1498: trace = 2.393041641532912 (3.49475e-07% change)
large trace change predicted (9.06592e-07%)
linmin: converged after 6 iterations.
iteration 1499: trace = 2.393041619837381 (9.06609e-07% change)
linmin: converged after 7 iterations.
iteration 1500: trace = 2.393041593964983 (1.08115e-06% change)
linmin: converged after 4 iterations.
iteration 1501: trace = 2.393041575070336 (7.89566e-07% change)
large trace change predicted (1.57987e-06%)
linmin: converged after 7 iterations.
iteration 1502: trace = 2.393041537263086 (1.57988e-06% change)
linmin: converged after 4 iterations.
iteration 1503: trace = 2.393041525101689 (5.08198e-07% change)
large trace change predicted (2.48299e-06%)
linmin: converged after 5 iterations.
iteration 1504: trace = 2.393041465681474 (2.48304e-06% change)
linmin: converged after 4 iterations.
iteration 1505: trace = 2.393041434254244 (1.31328e-06% change)
linmin: converged after 4 iterations.
iteration 1506: trace = 2.393041385020626 (2.05737e-06% change)
linmin: converged after 4 iterations.
iteration 1507: trace = 2.393041340422551 (1.86366e-06% change)
linmin: converged after 4 iterations.
iteration 1508: trace = 2.393041326245856 (5.92413e-07% change)
large trace change predicted (1.18774e-06%)
linmin: converged after 5 iterations.
iteration 1509: trace = 2.393041297822866 (1.18774e-06% change)
linmin: converged after 4 iterations.
iteration 1510: trace = 2.393041288709364 (3.80833e-07% change)
linmin: converged after 15 iterations.
iteration 1511: trace = 2.393041272254406 (6.87617e-07% change)
linmin: converged after 4 iterations.
iteration 1512: trace = 2.393041265101723 (2.98895e-07% change)
linmin: converged after 4 iterations.
iteration 1513: trace = 2.393041254927728 (4.25149e-07% change)
linmin: converged after 4 iterations.
iteration 1514: trace = 2.393041246505341 (3.51953e-07% change)
linmin: converged after 4 iterations.
iteration 1515: trace = 2.393041239630398 (2.87289e-07% change)
large trace change predicted (9.37233e-07%)
linmin: converged after 4 iterations.
iteration 1516: trace = 2.39304121720214 (9.37228e-07% change)
linmin: converged after 4 iterations.
iteration 1517: trace = 2.393041209533915 (3.20438e-07% change)
large trace change predicted (2.15833e-06%)
linmin: converged after 4 iterations.
iteration 1518: trace = 2.393041157884193 (2.15833e-06% change)
linmin: converged after 4 iterations.
iteration 1519: trace = 2.393041143204537 (6.13431e-07% change)
linmin: converged after 5 iterations.
iteration 1520: trace = 2.393041117377532 (1.07925e-06% change)
linmin: converged after 5 iterations.
iteration 1521: trace = 2.393041086670575 (1.28318e-06% change)
linmin: converged after 4 iterations.
iteration 1522: trace = 2.393041071073566 (6.51765e-07% change)
large trace change predicted (1.91148e-06%)
linmin: converged after 4 iterations.
iteration 1523: trace = 2.393041025330543 (1.9115e-06% change)
linmin: converged after 11 iterations.
iteration 1524: trace = 2.393041014386847 (4.57313e-07% change)
large trace change predicted (1.44187e-06%)
linmin: converged after 2 iterations.
iteration 1525: trace = 2.393040979882485 (1.44186e-06% change)
linmin: converged after 8 iterations.
iteration 1526: trace = 2.393040972922209 (2.90855e-07% change)
linmin: converged after 9 iterations.
iteration 1527: trace = 2.393040959635565 (5.5522e-07% change)
linmin: converged after 4 iterations.
iteration 1528: trace = 2.393040948763026 (4.5434e-07% change)
linmin: converged after 11 iterations.
iteration 1529: trace = 2.393040929348199 (8.11304e-07% change)
linmin: converged after 6 iterations.
iteration 1530: trace = 2.393040912492855 (7.04348e-07% change)
linmin: converged after 4 iterations.
iteration 1531: trace = 2.393040904353395 (3.4013e-07% change)
linmin: converged after 4 iterations.
iteration 1532: trace = 2.393040895074797 (3.87733e-07% change)
linmin: converged after 7 iterations.
iteration 1533: trace = 2.393040887966783 (2.97029e-07% change)
linmin: converged after 4 iterations.
iteration 1534: trace = 2.39304088473714 (1.3496e-07% change)
linmin: converged after 4 iterations.
iteration 1535: trace = 2.393040879782963 (2.07024e-07% change)
linmin: converged after 4 iterations.
iteration 1536: trace = 2.393040875433655 (1.81748e-07% change)
linmin: converged after 4 iterations.
iteration 1537: trace = 2.393040870054897 (2.24767e-07% change)
linmin: converged after 6 iterations.
iteration 1538: trace = 2.393040868133536 (8.02895e-08% change)
large trace change predicted (5.60159e-07%)
linmin: converged after 6 iterations.
iteration 1539: trace = 2.393040854728649 (5.60161e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1540: trace = 2.393040846794583 (3.31547e-07% change)
linmin: converged after 4 iterations.
iteration 1541: trace = 2.393040839758284 (2.94032e-07% change)
linmin: converged after 4 iterations.
iteration 1542: trace = 2.39304083543161 (1.80802e-07% change)
linmin: converged after 5 iterations.
iteration 1543: trace = 2.393040830813279 (1.9299e-07% change)
linmin: converged after 9 iterations.
iteration 1544: trace = 2.393040822632801 (3.41844e-07% change)
linmin: converged after 4 iterations.
iteration 1545: trace = 2.393040820074101 (1.06923e-07% change)
large trace change predicted (4.14473e-07%)
linmin: converged after 4 iterations.
iteration 1546: trace = 2.393040810155397 (4.14481e-07% change)
linmin: converged after 4 iterations.
iteration 1547: trace = 2.393040806324217 (1.60097e-07% change)
large trace change predicted (6.23616e-07%)
linmin: converged after 4 iterations.
iteration 1548: trace = 2.393040791400556 (6.23628e-07% change)
linmin: converged after 4 iterations.
iteration 1549: trace = 2.393040783576778 (3.26939e-07% change)
large trace change predicted (6.86578e-07%)
linmin: converged after 4 iterations.
iteration 1550: trace = 2.393040767146828 (6.86572e-07% change)
linmin: converged after 6 iterations.
iteration 1551: trace = 2.393040755370885 (4.92091e-07% change)
linmin: converged after 4 iterations.
iteration 1552: trace = 2.393040745746947 (4.02164e-07% change)
large trace change predicted (9.1558e-07%)
linmin: converged after 4 iterations.
iteration 1553: trace = 2.393040723837213 (9.1556e-07% change)
linmin: converged after 14 iterations.
iteration 1554: trace = 2.393040712715856 (4.64737e-07% change)
large trace change predicted (1.22891e-06%)
linmin: converged after 4 iterations.
iteration 1555: trace = 2.393040683307668 (1.2289e-06% change)
linmin: converged after 4 iterations.
iteration 1556: trace = 2.39304067525139 (3.36654e-07% change)
large trace change predicted (9.39644e-07%)
linmin: converged after 4 iterations.
iteration 1557: trace = 2.393040652765202 (9.39649e-07% change)
linmin: converged after 4 iterations.
iteration 1558: trace = 2.393040635201327 (7.33956e-07% change)
linmin: converged after 4 iterations.
iteration 1559: trace = 2.393040616804273 (7.68773e-07% change)
linmin: converged after 4 iterations.
iteration 1560: trace = 2.393040588653364 (1.17637e-06% change)
linmin: converged after 13 iterations.
iteration 1561: trace = 2.393040576846696 (4.93375e-07% change)
linmin: converged after 4 iterations.
iteration 1562: trace = 2.393040562742854 (5.89369e-07% change)
linmin: converged after 16 iterations.
iteration 1563: trace = 2.393040558864877 (1.62052e-07% change)
linmin: converged after 8 iterations.
iteration 1564: trace = 2.393040551966171 (2.88282e-07% change)
linmin: converged after 4 iterations.
iteration 1565: trace = 2.393040545470763 (2.71429e-07% change)
linmin: converged after 9 iterations.
iteration 1566: trace = 2.393040539815847 (2.36307e-07% change)
linmin: converged after 13 iterations.
iteration 1567: trace = 2.39304052929807 (4.39515e-07% change)
linmin: converged after 4 iterations.
iteration 1568: trace = 2.393040525338454 (1.65464e-07% change)
large trace change predicted (5.71985e-07%)
linmin: converged after 17 iterations.
iteration 1569: trace = 2.393040511650633 (5.71985e-07% change)
linmin: converged after 7 iterations.
iteration 1570: trace = 2.393040503011514 (3.6101e-07% change)
linmin: converged after 4 iterations.
iteration 1571: trace = 2.393040489915184 (5.47267e-07% change)
large trace change predicted (1.32425e-06%)
linmin: converged after 4 iterations.
iteration 1572: trace = 2.393040458225228 (1.32425e-06% change)
linmin: converged after 7 iterations.
iteration 1573: trace = 2.393040447293773 (4.56802e-07% change)
large trace change predicted (1.44134e-06%)
linmin: converged after 4 iterations.
iteration 1574: trace = 2.393040412802363 (1.44132e-06% change)
linmin: converged after 4 iterations.
iteration 1575: trace = 2.393040405226142 (3.16594e-07% change)
large trace change predicted (8.9362e-07%)
linmin: converged after 4 iterations.
iteration 1576: trace = 2.393040383841121 (8.93634e-07% change)
linmin: converged after 4 iterations.
iteration 1577: trace = 2.393040378425415 (2.26311e-07% change)
linmin: converged after 3 iterations.
iteration 1578: trace = 2.393040368090171 (4.31888e-07% change)
linmin: converged after 4 iterations.
iteration 1579: trace = 2.393040362721061 (2.24364e-07% change)
linmin: converged after 4 iterations.
iteration 1580: trace = 2.393040355559958 (2.99247e-07% change)
linmin: converged after 4 iterations.
iteration 1581: trace = 2.393040349616177 (2.48378e-07% change)
linmin: converged after 4 iterations.
iteration 1582: trace = 2.393040342680266 (2.89837e-07% change)
linmin: converged after 4 iterations.
iteration 1583: trace = 2.393040339779458 (1.21218e-07% change)
large trace change predicted (2.53118e-07%)
linmin: converged after 4 iterations.
iteration 1584: trace = 2.393040333722471 (2.53108e-07% change)
linmin: converged after 4 iterations.
iteration 1585: trace = 2.393040332403908 (5.50999e-08% change)
large trace change predicted (1.17414e-07%)
linmin: converged after 3 iterations.
iteration 1586: trace = 2.39304032959441 (1.17403e-07% change)
linmin: converged after 4 iterations.
iteration 1587: trace = 2.393040327573919 (8.4432e-08% change)
linmin: converged after 5 iterations.
iteration 1588: trace = 2.393040324923278 (1.10765e-07% change)
linmin: converged after 9 iterations.
iteration 1589: trace = 2.393040321174981 (1.56633e-07% change)
linmin: converged after 4 iterations.
iteration 1590: trace = 2.39304031728698 (1.62471e-07% change)
large trace change predicted (3.43055e-07%)
linmin: converged after 7 iterations.
iteration 1591: trace = 2.393040309077787 (3.43044e-07% change)
linmin: converged after 4 iterations.
iteration 1592: trace = 2.39304030319758 (2.45721e-07% change)
large trace change predicted (5.00735e-07%)
linmin: converged after 7 iterations.
iteration 1593: trace = 2.393040291214803 (5.00734e-07% change)
linmin: converged after 4 iterations.
iteration 1594: trace = 2.393040285657796 (2.32215e-07% change)
large trace change predicted (7.5518e-07%)
linmin: converged after 4 iterations.
iteration 1595: trace = 2.39304026758619 (7.55174e-07% change)
linmin: converged after 5 iterations.
iteration 1596: trace = 2.393040260156152 (3.10485e-07% change)
linmin: converged after 5 iterations.
iteration 1597: trace = 2.39304024849246 (4.87401e-07% change)
linmin: converged after 5 iterations.
iteration 1598: trace = 2.393040241879537 (2.7634e-07% change)
linmin: converged after 4 iterations.
iteration 1599: trace = 2.393040233351875 (3.56353e-07% change)
linmin: converged after 4 iterations.
iteration 1600: trace = 2.393040228954549 (1.83755e-07% change)
linmin: converged after 5 iterations.
iteration 1601: trace = 2.393040225950311 (1.25541e-07% change)
linmin: converged after 4 iterations.
iteration 1602: trace = 2.393040222668372 (1.37145e-07% change)
linmin: converged after 4 iterations.
iteration 1603: trace = 2.393040221259799 (5.88612e-08% change)
large trace change predicted (1.7018e-07%)
linmin: converged after 5 iterations.
iteration 1604: trace = 2.393040217187468 (1.70174e-07% change)
linmin: converged after 4 iterations.
iteration 1605: trace = 2.393040215517221 (6.9796e-08% change)
large trace change predicted (3.49481e-07%)
linmin: converged after 5 iterations.
iteration 1606: trace = 2.393040207153975 (3.49482e-07% change)
linmin: converged after 4 iterations.
iteration 1607: trace = 2.393040202462497 (1.96047e-07% change)
linmin: converged after 4 iterations.
iteration 1608: trace = 2.393040195280202 (3.00133e-07% change)
linmin: converged after 8 iterations.
iteration 1609: trace = 2.393040189667386 (2.34547e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1610: trace = 2.39304018718256 (1.03836e-07% change)
linmin: converged after 9 iterations.
iteration 1611: trace = 2.393040182931914 (1.77625e-07% change)
linmin: converged after 4 iterations.
iteration 1612: trace = 2.393040178208604 (1.97377e-07% change)
linmin: converged after 4 iterations.
iteration 1613: trace = 2.393040175099676 (1.29915e-07% change)
linmin: converged after 4 iterations.
iteration 1614: trace = 2.393040169009963 (2.54476e-07% change)
linmin: converged after 3 iterations.
iteration 1615: trace = 2.39304016378598 (2.18299e-07% change)
linmin: converged after 4 iterations.
iteration 1616: trace = 2.393040160235442 (1.48369e-07% change)
linmin: converged after 4 iterations.
iteration 1617: trace = 2.39304015486111 (2.24582e-07% change)
linmin: converged after 3 iterations.
iteration 1618: trace = 2.39304015328522 (6.5853e-08% change)
large trace change predicted (1.99454e-07%)
linmin: converged after 8 iterations.
iteration 1619: trace = 2.393040148512031 (1.99461e-07% change)
linmin: converged after 3 iterations.
iteration 1620: trace = 2.393040146285257 (9.30521e-08% change)
linmin: converged after 8 iterations.
iteration 1621: trace = 2.393040143599275 (1.12241e-07% change)
large trace change predicted (3.1216e-07%)
linmin: converged after 4 iterations.
iteration 1622: trace = 2.393040136129033 (3.12165e-07% change)
linmin: converged after 6 iterations.
iteration 1623: trace = 2.393040131772109 (1.82066e-07% change)
large trace change predicted (7.17307e-07%)
linmin: converged after 5 iterations.
iteration 1624: trace = 2.393040114606595 (7.1731e-07% change)
linmin: converged after 4 iterations.
iteration 1625: trace = 2.393040103331501 (4.71162e-07% change)
linmin: converged after 4 iterations.
iteration 1626: trace = 2.393040090893176 (5.19771e-07% change)
linmin: converged after 12 iterations.
iteration 1627: trace = 2.393040085166731 (2.39296e-07% change)
linmin: converged after 4 iterations.
iteration 1628: trace = 2.393040082167952 (1.25313e-07% change)
linmin: converged after 4 iterations.
iteration 1629: trace = 2.393040077925505 (1.77283e-07% change)
linmin: converged after 4 iterations.
iteration 1630: trace = 2.393040077041571 (3.69377e-08% change)
large trace change predicted (1.20255e-07%)
linmin: converged after 4 iterations.
iteration 1631: trace = 2.393040074163912 (1.20251e-07% change)
linmin: converged after 5 iterations.
iteration 1632: trace = 2.393040073018217 (4.78761e-08% change)
large trace change predicted (1.5778e-07%)
linmin: converged after 4 iterations.
iteration 1633: trace = 2.393040069242464 (1.57781e-07% change)
linmin: converged after 4 iterations.
iteration 1634: trace = 2.393040066056172 (1.33148e-07% change)
linmin: converged after 7 iterations.
iteration 1635: trace = 2.393040064186434 (7.81323e-08% change)
large trace change predicted (2.17729e-07%)
linmin: converged after 4 iterations.
iteration 1636: trace = 2.393040058975924 (2.17736e-07% change)
linmin: converged after 18 iterations.
iteration 1637: trace = 2.393040056631994 (9.79478e-08% change)
large trace change predicted (2.06355e-07%)
linmin: converged after 21 iterations.
iteration 1638: trace = 2.393040051693809 (2.06356e-07% change)
linmin: converged after 7 iterations.
iteration 1639: trace = 2.393040044919326 (2.83091e-07% change)
linmin: converged after 4 iterations.
iteration 1640: trace = 2.393040038455272 (2.70119e-07% change)
large trace change predicted (6.5649e-07%)
linmin: converged after 4 iterations.
iteration 1641: trace = 2.393040022745184 (6.56491e-07% change)
linmin: converged after 4 iterations.
iteration 1642: trace = 2.393040017785466 (2.07256e-07% change)
large trace change predicted (5.7597e-07%)
linmin: converged after 13 iterations.
iteration 1643: trace = 2.393040004001944 (5.75984e-07% change)
linmin: converged after 4 iterations.
iteration 1644: trace = 2.393039992584766 (4.77099e-07% change)
linmin: converged after 8 iterations.
iteration 1645: trace = 2.393039986722047 (2.4499e-07% change)
large trace change predicted (6.18843e-07%)
linmin: converged after 4 iterations.
iteration 1646: trace = 2.393039971912742 (6.18849e-07% change)
linmin: converged after 4 iterations.
iteration 1647: trace = 2.393039968652185 (1.36252e-07% change)
large trace change predicted (4.0906e-07%)
linmin: converged after 4 iterations.
iteration 1648: trace = 2.393039958862991 (4.09069e-07% change)
linmin: converged after 4 iterations.
iteration 1649: trace = 2.393039955687987 (1.32677e-07% change)
linmin: converged after 4 iterations.
iteration 1650: trace = 2.393039952499427 (1.33243e-07% change)
linmin: converged after 17 iterations.
iteration 1651: trace = 2.393039948875656 (1.5143e-07% change)
linmin: converged after 15 iterations.
iteration 1652: trace = 2.393039947780938 (4.57459e-08% change)
large trace change predicted (1.43921e-07%)
linmin: converged after 8 iterations.
iteration 1653: trace = 2.393039944337343 (1.439e-07% change)
linmin: converged after 4 iterations.
iteration 1654: trace = 2.393039940819313 (1.47011e-07% change)
linmin: converged after 4 iterations.
iteration 1655: trace = 2.393039933794701 (2.93543e-07% change)
linmin: converged after 11 iterations.
iteration 1656: trace = 2.393039926019022 (3.24929e-07% change)
linmin: converged after 3 iterations.
iteration 1657: trace = 2.393039918181645 (3.27507e-07% change)
linmin: converged after 3 iterations.
iteration 1658: trace = 2.393039904667981 (5.64707e-07% change)
linmin: converged after 4 iterations.
iteration 1659: trace = 2.39303989890842 (2.4068e-07% change)
linmin: converged after 6 iterations.
iteration 1660: trace = 2.39303989132106 (3.1706e-07% change)
linmin: converged after 5 iterations.
iteration 1661: trace = 2.393039883645333 (3.20752e-07% change)
linmin: converged after 4 iterations.
iteration 1662: trace = 2.393039879392801 (1.77704e-07% change)
linmin: converged after 4 iterations.
iteration 1663: trace = 2.393039872002189 (3.08838e-07% change)
linmin: converged after 6 iterations.
iteration 1664: trace = 2.393039869276012 (1.13921e-07% change)
large trace change predicted (2.59296e-07%)
linmin: converged after 4 iterations.
iteration 1665: trace = 2.393039863070807 (2.59302e-07% change)
linmin: converged after 4 iterations.
iteration 1666: trace = 2.393039858189046 (2.03998e-07% change)
linmin: converged after 5 iterations.
iteration 1667: trace = 2.393039856356828 (7.65645e-08% change)
large trace change predicted (2.25229e-07%)
linmin: converged after 4 iterations.
iteration 1668: trace = 2.393039850966869 (2.25235e-07% change)
linmin: converged after 4 iterations.
iteration 1669: trace = 2.393039849961905 (4.19953e-08% change)
large trace change predicted (1.31283e-07%)
linmin: converged after 4 iterations.
iteration 1670: trace = 2.393039846820505 (1.31272e-07% change)
linmin: converged after 4 iterations.
iteration 1671: trace = 2.393039844534271 (9.55368e-08% change)
linmin: converged after 4 iterations.
iteration 1672: trace = 2.393039843655392 (3.67265e-08% change)
large trace change predicted (9.20826e-08%)
linmin: converged after 4 iterations.
iteration 1673: trace = 2.393039841451974 (9.20761e-08% change)
linmin: converged after 6 iterations.
iteration 1674: trace = 2.393039840143291 (5.4687e-08% change)
large trace change predicted (2.01592e-07%)
linmin: converged after 4 iterations.
iteration 1675: trace = 2.393039835318635 (2.01612e-07% change)
linmin: converged after 4 iterations.
iteration 1676: trace = 2.393039832311233 (1.25673e-07% change)
large trace change predicted (3.40831e-07%)
linmin: converged after 4 iterations.
iteration 1677: trace = 2.393039824154822 (3.40839e-07% change)
large trace change predicted (9.72107e-07%)
linmin: converged after 4 iterations.
iteration 1678: trace = 2.393039800892087 (9.721e-07% change)
linmin: converged after 7 iterations.
iteration 1679: trace = 2.39303977955218 (8.91749e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1680: trace = 2.393039764010439 (6.49456e-07% change)
linmin: converged after 4 iterations.
iteration 1681: trace = 2.393039750055962 (5.83128e-07% change)
linmin: converged after 4 iterations.
iteration 1682: trace = 2.393039739693763 (4.33014e-07% change)
linmin: converged after 4 iterations.
iteration 1683: trace = 2.393039736613394 (1.28722e-07% change)
linmin: converged after 4 iterations.
iteration 1684: trace = 2.393039730625631 (2.50216e-07% change)
linmin: converged after 4 iterations.
iteration 1685: trace = 2.393039729934849 (2.88663e-08% change)
large trace change predicted (7.98981e-08%)
linmin: converged after 21 iterations.
iteration 1686: trace = 2.393039728022628 (7.99076e-08% change)
linmin: converged after 4 iterations.
iteration 1687: trace = 2.39303972641626 (6.71267e-08% change)
linmin: converged after 15 iterations.
iteration 1688: trace = 2.393039725780088 (2.65842e-08% change)
large trace change predicted (6.05568e-08%)
linmin: converged after 4 iterations.
iteration 1689: trace = 2.393039724331282 (6.05425e-08% change)
linmin: converged after 5 iterations.
iteration 1690: trace = 2.393039721840434 (1.04087e-07% change)
linmin: converged after 4 iterations.
iteration 1691: trace = 2.393039720421821 (5.92808e-08% change)
large trace change predicted (1.84038e-07%)
linmin: converged after 21 iterations.
iteration 1692: trace = 2.393039716017662 (1.8404e-07% change)
linmin: converged after 2 iterations.
iteration 1693: trace = 2.393039713790926 (9.30505e-08% change)
linmin: converged after 4 iterations.
iteration 1694: trace = 2.393039710845707 (1.23074e-07% change)
linmin: converged after 3 iterations.
iteration 1695: trace = 2.393039707018541 (1.59929e-07% change)
linmin: converged after 4 iterations.
iteration 1696: trace = 2.393039704780546 (9.3521e-08% change)
large trace change predicted (2.38218e-07%)
linmin: converged after 4 iterations.
iteration 1697: trace = 2.3930396990801 (2.38209e-07% change)
linmin: converged after 4 iterations.
iteration 1698: trace = 2.393039694084266 (2.08765e-07% change)
linmin: converged after 4 iterations.
iteration 1699: trace = 2.393039692247144 (7.67694e-08% change)
large trace change predicted (2.55589e-07%)
linmin: converged after 12 iterations.
iteration 1700: trace = 2.393039686131317 (2.55567e-07% change)
linmin: converged after 3 iterations.
iteration 1701: trace = 2.393039682285895 (1.60692e-07% change)
linmin: converged after 6 iterations.
iteration 1702: trace = 2.39303967855377 (1.55957e-07% change)
linmin: converged after 2 iterations.
iteration 1703: trace = 2.393039673036079 (2.30572e-07% change)
linmin: converged after 4 iterations.
iteration 1704: trace = 2.393039671430901 (6.70769e-08% change)
linmin: converged after 4 iterations.
iteration 1705: trace = 2.393039668355911 (1.28497e-07% change)
linmin: converged after 5 iterations.
iteration 1706: trace = 2.393039667680652 (2.82176e-08% change)
linmin: converged after 4 iterations.
iteration 1707: trace = 2.393039666376056 (5.45163e-08% change)
linmin: converged after 6 iterations.
iteration 1708: trace = 2.393039665824615 (2.30435e-08% change)
large trace change predicted (4.93479e-08%)
linmin: converged after 12 iterations.
iteration 1709: trace = 2.393039664643942 (4.93378e-08% change)
linmin: converged after 5 iterations.
iteration 1710: trace = 2.393039663040258 (6.70145e-08% change)
linmin: converged after 6 iterations.
iteration 1711: trace = 2.393039661111772 (8.05873e-08% change)
linmin: converged after 4 iterations.
iteration 1712: trace = 2.393039657473133 (1.52051e-07% change)
linmin: converged after 4 iterations.
iteration 1713: trace = 2.393039655456989 (8.42504e-08% change)
large trace change predicted (2.23248e-07%)
linmin: converged after 3 iterations.
iteration 1714: trace = 2.393039650114785 (2.23239e-07% change)
linmin: converged after 4 iterations.
iteration 1715: trace = 2.393039647737429 (9.93446e-08% change)
linmin: converged after 18 iterations.
iteration 1716: trace = 2.393039643349094 (1.83379e-07% change)
linmin: converged after 15 iterations.
iteration 1717: trace = 2.393039639653405 (1.54435e-07% change)
linmin: converged after 7 iterations.
iteration 1718: trace = 2.39303963643279 (1.34583e-07% change)
linmin: converged after 4 iterations.
iteration 1719: trace = 2.393039632658464 (1.57721e-07% change)
linmin: converged after 9 iterations.
iteration 1720: trace = 2.393039631218924 (6.01553e-08% change)
large trace change predicted (1.30652e-07%)
linmin: converged after 3 iterations.
iteration 1721: trace = 2.393039628092728 (1.30637e-07% change)
linmin: converged after 2 iterations.
iteration 1722: trace = 2.393039627286453 (3.36925e-08% change)
linmin: converged after 4 iterations.
iteration 1723: trace = 2.393039625736548 (6.47672e-08% change)
linmin: converged after 24 iterations.
iteration 1724: trace = 2.393039624649981 (4.54053e-08% change)
linmin: converged after 7 iterations.
iteration 1725: trace = 2.393039623860726 (3.29813e-08% change)
linmin: converged after 4 iterations.
iteration 1726: trace = 2.39303962257965 (5.35334e-08% change)
linmin: converged after 4 iterations.
iteration 1727: trace = 2.39303962206265 (2.16043e-08% change)
linmin: converged after 9 iterations.
iteration 1728: trace = 2.393039621317967 (3.11187e-08% change)
linmin: converged after 4 iterations.
iteration 1729: trace = 2.393039620836857 (2.01045e-08% change)
linmin: converged after 4 iterations.
iteration 1730: trace = 2.393039620220901 (2.57395e-08% change)
linmin: converged after 12 iterations.
iteration 1731: trace = 2.393039619854805 (1.52984e-08% change)
large trace change predicted (5.47441e-08%)
linmin: converged after 15 iterations.
iteration 1732: trace = 2.39303961854509 (5.47302e-08% change)
linmin: converged after 6 iterations.
iteration 1733: trace = 2.393039617970964 (2.39915e-08% change)
large trace change predicted (8.7852e-08%)
linmin: converged after 6 iterations.
iteration 1734: trace = 2.393039615868747 (8.78472e-08% change)
linmin: converged after 4 iterations.
iteration 1735: trace = 2.393039614439605 (5.97208e-08% change)
large trace change predicted (1.21435e-07%)
linmin: converged after 8 iterations.
iteration 1736: trace = 2.393039611533673 (1.21433e-07% change)
linmin: converged after 4 iterations.
iteration 1737: trace = 2.393039609270611 (9.45685e-08% change)
linmin: converged after 4 iterations.
iteration 1738: trace = 2.393039605687984 (1.4971e-07% change)
linmin: converged after 4 iterations.
iteration 1739: trace = 2.393039604795215 (3.73069e-08% change)
large trace change predicted (1.06678e-07%)
linmin: converged after 3 iterations.
iteration 1740: trace = 2.393039602242241 (1.06683e-07% change)
linmin: converged after 8 iterations.
iteration 1741: trace = 2.393039601477468 (3.19582e-08% change)
linmin: converged after 4 iterations.
iteration 1742: trace = 2.393039600237158 (5.18299e-08% change)
linmin: converged after 7 iterations.
iteration 1743: trace = 2.393039599567867 (2.79682e-08% change)
linmin: converged after 5 iterations.
iteration 1744: trace = 2.393039599073902 (2.06418e-08% change)
linmin: converged after 3 iterations.
iteration 1745: trace = 2.393039598422529 (2.72195e-08% change)
linmin: converged after 8 iterations.
iteration 1746: trace = 2.393039598036147 (1.61461e-08% change)
large trace change predicted (4.51394e-08%)
linmin: converged after 8 iterations.
iteration 1747: trace = 2.393039596956115 (4.51322e-08% change)
linmin: converged after 14 iterations.
iteration 1748: trace = 2.393039596321787 (2.65072e-08% change)
large trace change predicted (7.90315e-08%)
linmin: converged after 15 iterations.
iteration 1749: trace = 2.393039594430727 (7.90233e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1750: trace = 2.393039593907173 (2.18782e-08% change)
linmin: converged after 4 iterations.
iteration 1751: trace = 2.393039593420764 (2.0326e-08% change)
linmin: converged after 4 iterations.
iteration 1752: trace = 2.39303959273847 (2.85116e-08% change)
linmin: converged after 3 iterations.
iteration 1753: trace = 2.393039592362321 (1.57185e-08% change)
linmin: converged after 3 iterations.
iteration 1754: trace = 2.393039591834003 (2.20773e-08% change)
large trace change predicted (5.85305e-08%)
linmin: converged after 18 iterations.
iteration 1755: trace = 2.393039590433271 (5.85336e-08% change)
linmin: converged after 4 iterations.
iteration 1756: trace = 2.393039590085956 (1.45136e-08% change)
large trace change predicted (7.01621e-08%)
linmin: converged after 5 iterations.
iteration 1757: trace = 2.393039588406655 (7.01744e-08% change)
linmin: converged after 16 iterations.
iteration 1758: trace = 2.393039586857253 (6.47462e-08% change)
linmin: converged after 4 iterations.
iteration 1759: trace = 2.393039586270855 (2.45043e-08% change)
large trace change predicted (6.00454e-08%)
linmin: converged after 4 iterations.
iteration 1760: trace = 2.393039584833722 (6.00547e-08% change)
linmin: converged after 12 iterations.
iteration 1761: trace = 2.393039583698161 (4.74526e-08% change)
linmin: converged after 4 iterations.
iteration 1762: trace = 2.393039583088097 (2.54933e-08% change)
large trace change predicted (1.17534e-07%)
linmin: converged after 4 iterations.
iteration 1763: trace = 2.393039580275759 (1.17522e-07% change)
linmin: converged after 4 iterations.
iteration 1764: trace = 2.393039579470448 (3.36522e-08% change)
large trace change predicted (1.21013e-07%)
linmin: converged after 3 iterations.
iteration 1765: trace = 2.393039576574571 (1.21013e-07% change)
linmin: converged after 18 iterations.
iteration 1766: trace = 2.393039575236267 (5.59249e-08% change)
linmin: converged after 24 iterations.
iteration 1767: trace = 2.39303957429082 (3.95082e-08% change)
linmin: converged after 15 iterations.
iteration 1768: trace = 2.393039572447418 (7.70318e-08% change)
linmin: converged after 4 iterations.
iteration 1769: trace = 2.393039571723361 (3.02568e-08% change)
linmin: converged after 13 iterations.
iteration 1770: trace = 2.393039570725867 (4.16831e-08% change)
linmin: converged after 4 iterations.
iteration 1771: trace = 2.393039570156724 (2.37833e-08% change)
linmin: converged after 4 iterations.
iteration 1772: trace = 2.393039569973194 (7.66929e-09% change)
large trace change predicted (1.97065e-08%)
linmin: converged after 4 iterations.
iteration 1773: trace = 2.393039569501248 (1.97216e-08% change)
linmin: converged after 6 iterations.
iteration 1774: trace = 2.393039568825229 (2.82494e-08% change)
linmin: converged after 4 iterations.
iteration 1775: trace = 2.39303956850532 (1.33683e-08% change)
large trace change predicted (7.00244e-08%)
linmin: converged after 3 iterations.
iteration 1776: trace = 2.393039566829835 (7.0015e-08% change)
linmin: converged after 8 iterations.
iteration 1777: trace = 2.393039564616725 (9.24811e-08% change)
linmin: converged after 4 iterations.
iteration 1778: trace = 2.393039562203077 (1.00861e-07% change)
linmin: converged after 4 iterations.
iteration 1779: trace = 2.393039558363005 (1.60468e-07% change)
linmin: converged after 4 iterations.
iteration 1780: trace = 2.3930395566286 (7.24771e-08% change)
linmin: converged after 4 iterations.
iteration 1781: trace = 2.393039553776727 (1.19174e-07% change)
linmin: converged after 5 iterations.
iteration 1782: trace = 2.393039551186797 (1.08228e-07% change)
linmin: converged after 4 iterations.
iteration 1783: trace = 2.39303955064044 (2.28311e-08% change)
large trace change predicted (8.77814e-08%)
linmin: converged after 4 iterations.
iteration 1784: trace = 2.393039548539862 (8.77787e-08% change)
linmin: converged after 4 iterations.
iteration 1785: trace = 2.393039547972618 (2.37039e-08% change)
linmin: converged after 5 iterations.
iteration 1786: trace = 2.393039546964365 (4.21328e-08% change)
linmin: converged after 4 iterations.
iteration 1787: trace = 2.393039545797441 (4.87633e-08% change)
linmin: converged after 4 iterations.
iteration 1788: trace = 2.393039545237163 (2.34128e-08% change)
large trace change predicted (5.90909e-08%)
linmin: converged after 5 iterations.
iteration 1789: trace = 2.393039543822896 (5.90992e-08% change)
linmin: converged after 12 iterations.
iteration 1790: trace = 2.393039543032467 (3.30303e-08% change)
linmin: converged after 4 iterations.
iteration 1791: trace = 2.393039542577954 (1.89931e-08% change)
linmin: converged after 8 iterations.
iteration 1792: trace = 2.393039541763135 (3.40496e-08% change)
linmin: converged after 6 iterations.
iteration 1793: trace = 2.393039541043551 (3.00699e-08% change)
linmin: converged after 4 iterations.
iteration 1794: trace = 2.393039539963685 (4.51253e-08% change)
large trace change predicted (1.10838e-07%)
linmin: converged after 15 iterations.
iteration 1795: trace = 2.393039537311493 (1.10829e-07% change)
linmin: converged after 4 iterations.
iteration 1796: trace = 2.393039536333442 (4.08707e-08% change)
large trace change predicted (1.75768e-07%)
linmin: converged after 5 iterations.
iteration 1797: trace = 2.39303953212755 (1.75755e-07% change)
linmin: converged after 9 iterations.
iteration 1798: trace = 2.393039529326443 (1.17052e-07% change)
linmin: converged after 4 iterations.
iteration 1799: trace = 2.393039528185163 (4.76917e-08% change)
linmin: converged after 4 iterations.
iteration 1800: trace = 2.393039526870903 (5.49201e-08% change)
linmin: converged after 4 iterations.
iteration 1801: trace = 2.393039526155441 (2.98976e-08% change)
linmin: converged after 3 iterations.
iteration 1802: trace = 2.39303952518417 (4.05874e-08% change)
linmin: converged after 5 iterations.
iteration 1803: trace = 2.393039524266048 (3.83664e-08% change)
linmin: converged after 5 iterations.
iteration 1804: trace = 2.39303952384891 (1.74313e-08% change)
linmin: converged after 4 iterations.
iteration 1805: trace = 2.393039523062919 (3.28449e-08% change)
linmin: converged after 4 iterations.
iteration 1806: trace = 2.393039522721636 (1.42615e-08% change)
linmin: converged after 3 iterations.
iteration 1807: trace = 2.393039522211775 (2.1306e-08% change)
linmin: converged after 6 iterations.
iteration 1808: trace = 2.393039521398135 (3.40003e-08% change)
linmin: converged after 6 iterations.
iteration 1809: trace = 2.393039521165752 (9.71081e-09% change)
large trace change predicted (3.80548e-08%)
linmin: converged after 3 iterations.
iteration 1810: trace = 2.3930395202551 (3.80542e-08% change)
linmin: converged after 15 iterations.
iteration 1811: trace = 2.393039519938909 (1.32129e-08% change)
large trace change predicted (3.44102e-08%)
linmin: converged after 13 iterations.
iteration 1812: trace = 2.393039519115651 (3.44022e-08% change)
linmin: converged after 3 iterations.
iteration 1813: trace = 2.393039518426034 (2.88176e-08% change)
linmin: converged after 15 iterations.
iteration 1814: trace = 2.393039518035018 (1.63397e-08% change)
large trace change predicted (1.68317e-07%)
linmin: converged after 4 iterations.
iteration 1815: trace = 2.393039514007436 (1.68304e-07% change)
linmin: converged after 5 iterations.
iteration 1816: trace = 2.393039512300944 (7.13106e-08% change)
large trace change predicted (4.1775e-07%)
linmin: converged after 4 iterations.
iteration 1817: trace = 2.393039502304406 (4.17734e-07% change)
linmin: converged after 4 iterations.
iteration 1818: trace = 2.393039495015239 (3.04599e-07% change)
linmin: converged after 9 iterations.
iteration 1819: trace = 2.393039488570439 (2.69314e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1820: trace = 2.393039484081988 (1.87563e-07% change)
linmin: converged after 22 iterations.
iteration 1821: trace = 2.393039479568118 (1.88625e-07% change)
linmin: converged after 5 iterations.
iteration 1822: trace = 2.39303947350885 (2.53204e-07% change)
linmin: converged after 4 iterations.
iteration 1823: trace = 2.393039472501099 (4.21117e-08% change)
large trace change predicted (1.00227e-07%)
linmin: converged after 5 iterations.
iteration 1824: trace = 2.393039470102659 (1.00226e-07% change)
linmin: converged after 5 iterations.
iteration 1825: trace = 2.393039469587826 (2.15138e-08% change)
linmin: converged after 7 iterations.
iteration 1826: trace = 2.393039469284597 (1.26713e-08% change)
linmin: converged after 9 iterations.
iteration 1827: trace = 2.393039468989501 (1.23314e-08% change)
linmin: converged after 3 iterations.
iteration 1828: trace = 2.393039468762381 (9.49086e-09% change)
linmin: converged after 4 iterations.
iteration 1829: trace = 2.393039468582002 (7.53763e-09% change)
large trace change predicted (1.64284e-08%)
linmin: converged after 4 iterations.
iteration 1830: trace = 2.393039468188831 (1.64298e-08% change)
linmin: converged after 3 iterations.
iteration 1831: trace = 2.393039468077939 (4.63395e-09% change)
large trace change predicted (1.58455e-08%)
linmin: converged after 9 iterations.
iteration 1832: trace = 2.393039467698462 (1.58575e-08% change)
linmin: converged after 3 iterations.
iteration 1833: trace = 2.393039467482168 (9.03845e-09% change)
linmin: converged after 18 iterations.
iteration 1834: trace = 2.393039467374841 (4.48495e-09% change)
large trace change predicted (1.43701e-08%)
linmin: converged after 4 iterations.
iteration 1835: trace = 2.393039467030893 (1.43729e-08% change)
linmin: converged after 3 iterations.
iteration 1836: trace = 2.393039466657457 (1.56051e-08% change)
linmin: converged after 4 iterations.
iteration 1837: trace = 2.393039466447072 (8.7915e-09% change)
large trace change predicted (2.66367e-08%)
linmin: converged after 3 iterations.
iteration 1838: trace = 2.393039465809741 (2.66327e-08% change)
linmin: converged after 5 iterations.
iteration 1839: trace = 2.393039465355733 (1.8972e-08% change)
linmin: converged after 15 iterations.
iteration 1840: trace = 2.393039464852271 (2.10386e-08% change)
linmin: converged after 4 iterations.
iteration 1841: trace = 2.393039463876717 (4.07663e-08% change)
linmin: converged after 4 iterations.
iteration 1842: trace = 2.393039463386607 (2.04806e-08% change)
linmin: converged after 3 iterations.
iteration 1843: trace = 2.39303946247426 (3.8125e-08% change)
linmin: converged after 3 iterations.
iteration 1844: trace = 2.393039461892562 (2.43079e-08% change)
linmin: converged after 4 iterations.
iteration 1845: trace = 2.39303946153948 (1.47545e-08% change)
linmin: converged after 3 iterations.
iteration 1846: trace = 2.393039461269766 (1.12708e-08% change)
linmin: converged after 9 iterations.
iteration 1847: trace = 2.393039461177974 (3.83582e-09% change)
linmin: converged after 3 iterations.
iteration 1848: trace = 2.393039461018711 (6.65523e-09% change)
linmin: converged after 5 iterations.
iteration 1849: trace = 2.3930394607626 (1.07023e-08% change)
linmin: converged after 5 iterations.
iteration 1850: trace = 2.393039460614487 (6.18931e-09% change)
large trace change predicted (1.47165e-08%)
linmin: converged after 12 iterations.
iteration 1851: trace = 2.393039460262448 (1.4711e-08% change)
linmin: converged after 4 iterations.
iteration 1852: trace = 2.393039460137845 (5.20689e-09% change)
large trace change predicted (1.17363e-08%)
linmin: converged after 5 iterations.
iteration 1853: trace = 2.393039459856961 (1.17375e-08% change)
linmin: converged after 12 iterations.
iteration 1854: trace = 2.393039459634852 (9.28148e-09% change)
linmin: converged after 4 iterations.
iteration 1855: trace = 2.393039459337167 (1.24396e-08% change)
linmin: converged after 15 iterations.
iteration 1856: trace = 2.393039458920251 (1.7422e-08% change)
linmin: converged after 5 iterations.
iteration 1857: trace = 2.393039458671261 (1.04048e-08% change)
large trace change predicted (3.21123e-08%)
linmin: converged after 3 iterations.
iteration 1858: trace = 2.393039457902927 (3.2107e-08% change)
linmin: converged after 5 iterations.
iteration 1859: trace = 2.393039457625665 (1.15862e-08% change)
large trace change predicted (3.00343e-08%)
linmin: converged after 3 iterations.
iteration 1860: trace = 2.393039456907079 (3.00282e-08% change)
linmin: converged after 4 iterations.
iteration 1861: trace = 2.393039456614725 (1.22168e-08% change)
linmin: converged after 4 iterations.
iteration 1862: trace = 2.393039456209651 (1.69272e-08% change)
linmin: converged after 4 iterations.
iteration 1863: trace = 2.393039455745036 (1.94152e-08% change)
linmin: converged after 3 iterations.
iteration 1864: trace = 2.393039455610807 (5.60915e-09% change)
large trace change predicted (1.26266e-08%)
linmin: converged after 4 iterations.
iteration 1865: trace = 2.393039455308747 (1.26225e-08% change)
linmin: converged after 4 iterations.
iteration 1866: trace = 2.393039455241222 (2.82171e-09% change)
large trace change predicted (6.66801e-09%)
linmin: converged after 12 iterations.
iteration 1867: trace = 2.393039455081451 (6.6765e-09% change)
linmin: converged after 3 iterations.
iteration 1868: trace = 2.393039455035793 (1.90796e-09% change)
linmin: converged after 6 iterations.
iteration 1869: trace = 2.393039454965693 (2.92931e-09% change)
linmin: converged after 9 iterations.
iteration 1870: trace = 2.39303945485351 (4.68789e-09% change)
linmin: converged after 16 iterations.
iteration 1871: trace = 2.393039454815288 (1.59723e-09% change)
large trace change predicted (8.30957e-09%)
linmin: converged after 4 iterations.
iteration 1872: trace = 2.39303945461575 (8.33824e-09% change)
linmin: converged after 4 iterations.
iteration 1873: trace = 2.393039454542886 (3.04485e-09% change)
large trace change predicted (1.46625e-08%)
linmin: converged after 5 iterations.
iteration 1874: trace = 2.393039454191828 (1.467e-08% change)
linmin: converged after 4 iterations.
iteration 1875: trace = 2.393039453902738 (1.20805e-08% change)
linmin: converged after 8 iterations.
iteration 1876: trace = 2.393039453663679 (9.98976e-09% change)
large trace change predicted (2.14744e-08%)
linmin: converged after 4 iterations.
iteration 1877: trace = 2.393039453149391 (2.1491e-08% change)
linmin: converged after 3 iterations.
iteration 1878: trace = 2.393039453036628 (4.71215e-09% change)
large trace change predicted (1.02485e-08%)
linmin: converged after 6 iterations.
iteration 1879: trace = 2.393039452791139 (1.02585e-08% change)
linmin: converged after 3 iterations.
iteration 1880: trace = 2.393039452714517 (3.20186e-09% change)
linmin: converged after 9 iterations.
iteration 1881: trace = 2.393039452573159 (5.90703e-09% change)
linmin: converged after 9 iterations.
iteration 1882: trace = 2.393039452507627 (2.73844e-09% change)
linmin: converged after 4 iterations.
iteration 1883: trace = 2.393039452386425 (5.06478e-09% change)
linmin: converged after 3 iterations.
iteration 1884: trace = 2.393039452227881 (6.62523e-09% change)
linmin: converged after 15 iterations.
iteration 1885: trace = 2.393039452127997 (4.17392e-09% change)
linmin: converged after 12 iterations.
iteration 1886: trace = 2.393039451946437 (7.58701e-09% change)
linmin: converged after 6 iterations.
iteration 1887: trace = 2.393039451900567 (1.91681e-09% change)
large trace change predicted (4.3894e-09%)
linmin: converged after 6 iterations.
iteration 1888: trace = 2.393039451795502 (4.39044e-09% change)
linmin: converged after 5 iterations.
iteration 1889: trace = 2.393039451755762 (1.66064e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1890: trace = 2.393039451734298 (8.9696e-10% change)
large trace change predicted (1.9434e-09%)
linmin: converged after 4 iterations.
iteration 1891: trace = 2.3930394516882 (1.92635e-09% change)
linmin: converged after 6 iterations.
iteration 1892: trace = 2.393039451626216 (2.59015e-09% change)
linmin: converged after 6 iterations.
iteration 1893: trace = 2.393039451575114 (2.13545e-09% change)
large trace change predicted (6.37908e-09%)
linmin: converged after 6 iterations.
iteration 1894: trace = 2.393039451422565 (6.37468e-09% change)
linmin: converged after 3 iterations.
iteration 1895: trace = 2.393039451352757 (2.91715e-09% change)
large trace change predicted (7.30897e-09%)
linmin: converged after 4 iterations.
iteration 1896: trace = 2.39303945117764 (7.31778e-09% change)
linmin: converged after 4 iterations.
iteration 1897: trace = 2.393039451014691 (6.80928e-09% change)
linmin: converged after 5 iterations.
iteration 1898: trace = 2.393039450928482 (3.60248e-09% change)
linmin: converged after 3 iterations.
iteration 1899: trace = 2.393039450766429 (6.77187e-09% change)
linmin: converged after 10 iterations.
iteration 1900: trace = 2.393039450619521 (6.13894e-09% change)
linmin: converged after 9 iterations.
iteration 1901: trace = 2.393039450481397 (5.77193e-09% change)
large trace change predicted (1.37452e-08%)
linmin: converged after 6 iterations.
iteration 1902: trace = 2.39303945015247 (1.37451e-08% change)
linmin: converged after 13 iterations.
iteration 1903: trace = 2.393039450075025 (3.23627e-09% change)
large trace change predicted (1.02231e-08%)
linmin: converged after 5 iterations.
iteration 1904: trace = 2.393039449830154 (1.02326e-08% change)
linmin: converged after 4 iterations.
iteration 1905: trace = 2.393039449594766 (9.83635e-09% change)
linmin: converged after 5 iterations.
iteration 1906: trace = 2.39303944946226 (5.53716e-09% change)
linmin: converged after 3 iterations.
iteration 1907: trace = 2.393039449276768 (7.75132e-09% change)
linmin: converged after 4 iterations.
iteration 1908: trace = 2.393039449097325 (7.49851e-09% change)
linmin: converged after 4 iterations.
iteration 1909: trace = 2.393039449014233 (3.47225e-09% change)
linmin: converged after 3 iterations.
iteration 1910: trace = 2.39303944891337 (4.21488e-09% change)
linmin: converged after 4 iterations.
iteration 1911: trace = 2.393039448891721 (9.04643e-10% change)
large trace change predicted (2.88798e-09%)
linmin: converged after 3 iterations.
iteration 1912: trace = 2.393039448822574 (2.8895e-09% change)
linmin: converged after 4 iterations.
iteration 1913: trace = 2.393039448767053 (2.32012e-09% change)
linmin: converged after 5 iterations.
iteration 1914: trace = 2.393039448712644 (2.27363e-09% change)
large trace change predicted (9.76691e-09%)
linmin: converged after 4 iterations.
iteration 1915: trace = 2.393039448479089 (9.75976e-09% change)
linmin: converged after 4 iterations.
iteration 1916: trace = 2.393039448401244 (3.25299e-09% change)
large trace change predicted (1.54244e-08%)
linmin: converged after 4 iterations.
iteration 1917: trace = 2.393039448032157 (1.54233e-08% change)
linmin: converged after 4 iterations.
iteration 1918: trace = 2.393039447852846 (7.49301e-09% change)
large trace change predicted (2.05023e-08%)
linmin: converged after 5 iterations.
iteration 1919: trace = 2.39303944736242 (2.04939e-08% change)
linmin: converged after 4 iterations.
iteration 1920: trace = 2.393039447052423 (1.29541e-08% change)
linmin: converged after 3 iterations.
iteration 1921: trace = 2.393039446896045 (6.5347e-09% change)
linmin: converged after 14 iterations.
iteration 1922: trace = 2.393039446616436 (1.16843e-08% change)
linmin: converged after 6 iterations.
iteration 1923: trace = 2.393039446530206 (3.60337e-09% change)
large trace change predicted (1.233e-08%)
linmin: converged after 4 iterations.
iteration 1924: trace = 2.393039446235395 (1.23195e-08% change)
linmin: converged after 4 iterations.
iteration 1925: trace = 2.393039446120371 (4.80661e-09% change)
large trace change predicted (9.74189e-09%)
linmin: converged after 4 iterations.
iteration 1926: trace = 2.39303944588754 (9.72951e-09% change)
linmin: converged after 3 iterations.
iteration 1927: trace = 2.393039445710361 (7.40394e-09% change)
linmin: converged after 5 iterations.
iteration 1928: trace = 2.393039445643736 (2.78411e-09% change)
linmin: converged after 5 iterations.
iteration 1929: trace = 2.393039445510909 (5.55054e-09% change)
linmin: converged after 5 iterations.
iteration 1930: trace = 2.393039445448921 (2.59037e-09% change)
linmin: converged after 3 iterations.
iteration 1931: trace = 2.393039445383455 (2.73568e-09% change)
linmin: converged after 7 iterations.
iteration 1932: trace = 2.393039445265108 (4.94545e-09% change)
linmin: converged after 4 iterations.
iteration 1933: trace = 2.393039445204703 (2.5242e-09% change)
large trace change predicted (6.85489e-09%)
linmin: converged after 4 iterations.
iteration 1934: trace = 2.393039445040955 (6.84268e-09% change)
linmin: converged after 9 iterations.
iteration 1935: trace = 2.393039444780994 (1.08632e-08% change)
linmin: converged after 15 iterations.
iteration 1936: trace = 2.393039444628465 (6.37388e-09% change)
large trace change predicted (2.51985e-08%)
linmin: converged after 9 iterations.
iteration 1937: trace = 2.39303944402551 (2.51962e-08% change)
linmin: converged after 3 iterations.
iteration 1938: trace = 2.393039443912818 (4.70914e-09% change)
large trace change predicted (1.27572e-08%)
linmin: converged after 3 iterations.
iteration 1939: trace = 2.393039443607804 (1.27459e-08% change)
linmin: converged after 9 iterations.
iteration 1940: trace = 2.393039443377261 (9.63387e-09% change)
linmin: converged after 4 iterations.
iteration 1941: trace = 2.393039443293673 (3.49299e-09% change)
large trace change predicted (9.05967e-09%)
linmin: converged after 4 iterations.
iteration 1942: trace = 2.39303944307701 (9.05387e-09% change)
linmin: converged after 12 iterations.
iteration 1943: trace = 2.393039443036209 (1.70499e-09% change)
large trace change predicted (3.51877e-09%)
linmin: converged after 6 iterations.
iteration 1944: trace = 2.393039442951618 (3.53486e-09% change)
linmin: converged after 4 iterations.
iteration 1945: trace = 2.39303944288621 (2.73327e-09% change)
linmin: converged after 3 iterations.
iteration 1946: trace = 2.393039442848446 (1.57808e-09% change)
large trace change predicted (4.29332e-09%)
linmin: converged after 4 iterations.
iteration 1947: trace = 2.393039442745376 (4.30707e-09% change)
linmin: converged after 12 iterations.
iteration 1948: trace = 2.393039442693334 (2.17472e-09% change)
linmin: converged after 3 iterations.
iteration 1949: trace = 2.393039442620927 (3.02573e-09% change)
linmin: converged after 9 iterations.
iteration 1950: trace = 2.393039442476341 (6.04194e-09% change)
linmin: converged after 9 iterations.
iteration 1951: trace = 2.393039442436673 (1.65763e-09% change)
large trace change predicted (4.87469e-09%)
linmin: converged after 4 iterations.
iteration 1952: trace = 2.393039442320204 (4.86701e-09% change)
linmin: converged after 4 iterations.
iteration 1953: trace = 2.393039442258929 (2.56055e-09% change)
large trace change predicted (6.13875e-09%)
linmin: converged after 3 iterations.
iteration 1954: trace = 2.393039442112094 (6.1359e-09% change)
linmin: converged after 4 iterations.
iteration 1955: trace = 2.393039441868849 (1.01647e-08% change)
linmin: converged after 12 iterations.
iteration 1956: trace = 2.393039441709076 (6.67659e-09% change)
large trace change predicted (3.27133e-08%)
linmin: converged after 3 iterations.
iteration 1957: trace = 2.393039440926726 (3.26927e-08% change)
linmin: converged after 18 iterations.
iteration 1958: trace = 2.393039440677581 (1.04112e-08% change)
large trace change predicted (7.17879e-08%)
linmin: converged after 5 iterations.
iteration 1959: trace = 2.39303943895953 (7.17937e-08% change)
resetting CG direction...
linmin: converged after 14 iterations.
iteration 1960: trace = 2.393039438323334 (2.65853e-08% change)
linmin: converged after 4 iterations.
iteration 1961: trace = 2.393039437789052 (2.23265e-08% change)
linmin: converged after 3 iterations.
iteration 1962: trace = 2.39303943725397 (2.23599e-08% change)
linmin: converged after 7 iterations.
iteration 1963: trace = 2.393039437131799 (5.10527e-09% change)
large trace change predicted (1.04084e-08%)
linmin: converged after 3 iterations.
iteration 1964: trace = 2.39303943688254 (1.0416e-08% change)
linmin: converged after 3 iterations.
iteration 1965: trace = 2.393039436760738 (5.08987e-09% change)
linmin: converged after 6 iterations.
iteration 1966: trace = 2.393039436709493 (2.14139e-09% change)
linmin: converged after 4 iterations.
iteration 1967: trace = 2.393039436637749 (2.99803e-09% change)
linmin: converged after 5 iterations.
iteration 1968: trace = 2.393039436599232 (1.60955e-09% change)
linmin: converged after 4 iterations.
iteration 1969: trace = 2.393039436576352 (9.56103e-10% change)
large trace change predicted (2.35154e-09%)
linmin: converged after 4 iterations.
iteration 1970: trace = 2.393039436520354 (2.34003e-09% change)
linmin: converged after 3 iterations.
iteration 1971: trace = 2.393039436492496 (1.16413e-09% change)
linmin: converged after 3 iterations.
iteration 1972: trace = 2.393039436457791 (1.45027e-09% change)
linmin: converged after 4 iterations.
iteration 1973: trace = 2.393039436417563 (1.68102e-09% change)
linmin: converged after 4 iterations.
iteration 1974: trace = 2.393039436403412 (5.91373e-10% change)
large trace change predicted (1.25697e-09%)
linmin: converged after 3 iterations.
iteration 1975: trace = 2.393039436373034 (1.26941e-09% change)
linmin: converged after 3 iterations.
iteration 1976: trace = 2.393039436328327 (1.86821e-09% change)
linmin: converged after 3 iterations.
iteration 1977: trace = 2.393039436305597 (9.4983e-10% change)
large trace change predicted (3.66733e-09%)
linmin: converged after 4 iterations.
iteration 1978: trace = 2.393039436217674 (3.67413e-09% change)
linmin: converged after 3 iterations.
iteration 1979: trace = 2.393039436189774 (1.16586e-09% change)
large trace change predicted (5.08872e-09%)
linmin: converged after 4 iterations.
iteration 1980: trace = 2.393039436067618 (5.10464e-09% change)
linmin: converged after 9 iterations.
iteration 1981: trace = 2.393039435981243 (3.60946e-09% change)
linmin: converged after 13 iterations.
iteration 1982: trace = 2.393039435894592 (3.62095e-09% change)
large trace change predicted (7.30211e-09%)
linmin: converged after 3 iterations.
iteration 1983: trace = 2.393039435719951 (7.29788e-09% change)
linmin: converged after 4 iterations.
iteration 1984: trace = 2.393039435671572 (2.02166e-09% change)
linmin: converged after 8 iterations.
iteration 1985: trace = 2.393039435594718 (3.21153e-09% change)
linmin: converged after 4 iterations.
iteration 1986: trace = 2.393039435549982 (1.86945e-09% change)
linmin: converged after 3 iterations.
iteration 1987: trace = 2.393039435537185 (5.34754e-10% change)
large trace change predicted (1.21466e-09%)
linmin: converged after 4 iterations.
iteration 1988: trace = 2.393039435508208 (1.2109e-09% change)
linmin: converged after 4 iterations.
iteration 1989: trace = 2.393039435492325 (6.63692e-10% change)
linmin: converged after 5 iterations.
iteration 1990: trace = 2.393039435475317 (7.10754e-10% change)
large trace change predicted (2.0028e-09%)
linmin: converged after 4 iterations.
iteration 1991: trace = 2.393039435427377 (2.0033e-09% change)
linmin: converged after 6 iterations.
iteration 1992: trace = 2.393039435409912 (7.29831e-10% change)
large trace change predicted (2.97063e-09%)
linmin: converged after 4 iterations.
iteration 1993: trace = 2.393039435338368 (2.98964e-09% change)
linmin: converged after 4 iterations.
iteration 1994: trace = 2.393039435310971 (1.14489e-09% change)
linmin: converged after 4 iterations.
iteration 1995: trace = 2.393039435265988 (1.87975e-09% change)
linmin: converged after 3 iterations.
iteration 1996: trace = 2.393039435217393 (2.03066e-09% change)
linmin: converged after 4 iterations.
iteration 1997: trace = 2.39303943519499 (9.36191e-10% change)
large trace change predicted (3.3027e-09%)
linmin: converged after 6 iterations.
iteration 1998: trace = 2.393039435115994 (3.30105e-09% change)
linmin: converged after 7 iterations.
iteration 1999: trace = 2.393039435074365 (1.7396e-09% change)
large trace change predicted (6.16853e-09%)
linmin: converged after 6 iterations.
iteration 2000: trace = 2.393039434926903 (6.16212e-09% change)
linmin: converged after 4 iterations.
iteration 2001: trace = 2.393039434880057 (1.9576e-09% change)
linmin: converged after 4 iterations.
iteration 2002: trace = 2.393039434814421 (2.74279e-09% change)
linmin: converged after 4 iterations.
iteration 2003: trace = 2.393039434763783 (2.11604e-09% change)
linmin: converged after 4 iterations.
iteration 2004: trace = 2.393039434744991 (7.85299e-10% change)
large trace change predicted (1.63782e-09%)
linmin: converged after 3 iterations.
iteration 2005: trace = 2.393039434705584 (1.64672e-09% change)
linmin: converged after 4 iterations.
iteration 2006: trace = 2.393039434699242 (2.65002e-10% change)
large trace change predicted (8.61629e-10%)
linmin: converged after 3 iterations.
iteration 2007: trace = 2.393039434679038 (8.44294e-10% change)
linmin: converged after 4 iterations.
iteration 2008: trace = 2.393039434675229 (1.59168e-10% change)
large trace change predicted (5.14992e-10%)
linmin: converged after 3 iterations.
iteration 2009: trace = 2.393039434662688 (5.24046e-10% change)
linmin: converged after 4 iterations.
iteration 2010: trace = 2.393039434647076 (6.52427e-10% change)
linmin: converged after 3 iterations.
iteration 2011: trace = 2.393039434637269 (4.09788e-10% change)
large trace change predicted (1.36503e-09%)
linmin: converged after 3 iterations.
iteration 2012: trace = 2.393039434604628 (1.364e-09% change)
linmin: converged after 5 iterations.
iteration 2013: trace = 2.393039434595156 (3.95814e-10% change)
large trace change predicted (1.88283e-09%)
linmin: converged after 3 iterations.
iteration 2014: trace = 2.393039434550104 (1.88263e-09% change)
linmin: converged after 5 iterations.
iteration 2015: trace = 2.393039434523842 (1.09746e-09% change)
linmin: converged after 6 iterations.
iteration 2016: trace = 2.393039434486109 (1.57676e-09% change)
linmin: converged after 3 iterations.
iteration 2017: trace = 2.3930394344467 (1.64681e-09% change)
linmin: converged after 9 iterations.
iteration 2018: trace = 2.393039434423467 (9.70875e-10% change)
linmin: converged after 4 iterations.
iteration 2019: trace = 2.393039434378958 (1.85991e-09% change)
linmin: converged after 5 iterations.
iteration 2020: trace = 2.393039434370328 (3.60647e-10% change)
large trace change predicted (1.14174e-09%)
linmin: converged after 3 iterations.
iteration 2021: trace = 2.393039434343038 (1.1404e-09% change)
linmin: converged after 5 iterations.
iteration 2022: trace = 2.393039434333263 (4.08451e-10% change)
large trace change predicted (1.11508e-09%)
linmin: converged after 4 iterations.
iteration 2023: trace = 2.393039434306579 (1.1151e-09% change)
linmin: converged after 3 iterations.
iteration 2024: trace = 2.393039434291962 (6.10803e-10% change)
linmin: converged after 3 iterations.
iteration 2025: trace = 2.393039434276927 (6.28284e-10% change)
linmin: converged after 4 iterations.
iteration 2026: trace = 2.393039434252486 (1.02133e-09% change)
linmin: converged after 3 iterations.
iteration 2027: trace = 2.393039434245335 (2.98813e-10% change)
large trace change predicted (6.67383e-10%)
linmin: converged after 5 iterations.
iteration 2028: trace = 2.393039434230231 (6.3116e-10% change)
linmin: converged after 3 iterations.
iteration 2029: trace = 2.393039434227043 (1.33225e-10% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 2030: trace = 2.393039434225272 (7.40075e-11% change)
Finished solving for bands 2 to 10 after 2030 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016
elapsed time for k point: 15.229743957519531
solve_kpoint (0.166667,0,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.472606412328673 (8.48024% change)
linmin: converged after 6 iterations.
iteration 2: trace = 2.453425735718083 (0.778748% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.442844414785593 (0.43222% change)
linmin: converged after 7 iterations.
iteration 4: trace = 2.431161847827217 (0.479383% change)
linmin: converged after 7 iterations.
iteration 5: trace = 2.426060280234586 (0.210061% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.423173498768208 (0.119061% change)
linmin: converged after 11 iterations.
iteration 7: trace = 2.421004983712137 (0.0895308% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.419230595188513 (0.0733183% change)
linmin: converged after 6 iterations.
iteration 9: trace = 2.418879976299798 (0.014494% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.418217818337571 (0.0273783% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.417916624344721 (0.012456% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.417553425304854 (0.0150223% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.417324401496046 (0.00947382% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.417053485842457 (0.0112079% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.416983346628101 (0.00290189% change)
large trace change predicted (0.00610734%)
linmin: converged after 3 iterations.
iteration 16: trace = 2.416834145661213 (0.00617321% change)
linmin: converged after 4 iterations.
iteration 17: trace = 2.416789900407536 (0.00183073% change)
large trace change predicted (0.00505463%)
linmin: converged after 3 iterations.
iteration 18: trace = 2.416666953862918 (0.00508731% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.416616686541779 (0.00208005% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.416550546368013 (0.00273693% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.416470730039696 (0.00330296% change)
linmin: converged after 3 iterations.
iteration 22: trace = 2.4163914643744 (0.00328028% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.416340839231842 (0.00209509% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.416269506309811 (0.00295215% change)
linmin: converged after 6 iterations.
iteration 25: trace = 2.416222969393447 (0.001926% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.416194250937182 (0.00118858% change)
large trace change predicted (0.0053049%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.416065964814718 (0.00530957% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.416019766014298 (0.00191217% change)
large trace change predicted (0.00450154%)
linmin: converged after 4 iterations.
iteration 29: trace = 2.415911184348753 (0.00449434% change)
linmin: converged after 3 iterations.
iteration 30: trace = 2.415826339470812 (0.00351198% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.41570604851085 (0.00497941% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.415628012647992 (0.00323041% change)
large trace change predicted (0.0107003%)
linmin: converged after 4 iterations.
iteration 33: trace = 2.41537053690965 (0.0106593% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.415301753630072 (0.00284777% change)
large trace change predicted (0.00887828%)
linmin: converged after 4 iterations.
iteration 35: trace = 2.415087793103613 (0.00885893% change)
linmin: converged after 3 iterations.
iteration 36: trace = 2.414996316466689 (0.00378779% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.414847805921248 (0.0061497% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.414719199013656 (0.00532582% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.414561302620633 (0.00653913% change)
linmin: converged after 5 iterations.
iteration 40: trace = 2.41448413781134 (0.00319586% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.414383115285119 (0.00418411% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.414348691663321 (0.00142578% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.414292775582494 (0.00231602% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.414262873465236 (0.00123855% change)
linmin: converged after 4 iterations.
iteration 45: trace = 2.414243309095757 (0.000810369% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.414222004518059 (0.000882458% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.41418937622007 (0.00135151% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.414175482017809 (0.000575524% change)
large trace change predicted (0.00151722%)
linmin: converged after 4 iterations.
iteration 49: trace = 2.414139167146496 (0.00150425% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.414108647997533 (0.00126419% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.414084470600241 (0.00100151% change)
linmin: converged after 3 iterations.
iteration 52: trace = 2.414052008701353 (0.0013447% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.414006568578595 (0.00188234% change)
linmin: converged after 3 iterations.
iteration 54: trace = 2.413987583024687 (0.000786478% change)
large trace change predicted (0.00171875%)
linmin: converged after 4 iterations.
iteration 55: trace = 2.41394637849652 (0.00170692% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.413918643338453 (0.00114896% change)
linmin: converged after 6 iterations.
iteration 57: trace = 2.413893202859717 (0.00105391% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.413859265637633 (0.00140592% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.413820630728176 (0.00160056% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.413793739214342 (0.00111407% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.413747575773504 (0.0019125% change)
linmin: converged after 3 iterations.
iteration 62: trace = 2.413717656691289 (0.00123954% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.413670794739782 (0.0019415% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.413608498811451 (0.002581% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.413550379958808 (0.00240799% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.413476905206978 (0.00304431% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.413393469715005 (0.00345713% change)
linmin: converged after 3 iterations.
iteration 68: trace = 2.413361590307507 (0.00132095% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.413309245029383 (0.002169% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 2.413292472384753 (0.000695008% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.413275763337027 (0.000692378% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.413247325367773 (0.0011784% change)
linmin: converged after 5 iterations.
iteration 73: trace = 2.41324098838247 (0.000262592% change)
large trace change predicted (0.000686831%)
linmin: converged after 3 iterations.
iteration 74: trace = 2.413224390611433 (0.000687782% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.41321933697967 (0.000209414% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.413214508918284 (0.000200067% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.413206859948187 (0.000316962% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.413202709301081 (0.000171997% change)
linmin: converged after 4 iterations.
iteration 79: trace = 2.413195544942863 (0.000296882% change)
large trace change predicted (0.000675767%)
linmin: converged after 3 iterations.
iteration 80: trace = 2.41317915913854 (0.000679011% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.413174521984215 (0.00019216% change)
large trace change predicted (0.000670808%)
linmin: converged after 3 iterations.
iteration 82: trace = 2.413158321175334 (0.000671351% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.41313739852315 (0.000867027% change)
linmin: converged after 6 iterations.
iteration 84: trace = 2.413132084170826 (0.000220226% change)
large trace change predicted (0.00137291%)
linmin: converged after 4 iterations.
iteration 85: trace = 2.413098630000145 (0.00138635% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.413088275807562 (0.000429084% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.413070019022158 (0.000756576% change)
linmin: converged after 4 iterations.
iteration 88: trace = 2.413059140351948 (0.000450824% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.413054828335151 (0.000178695% change)
large trace change predicted (0.00037838%)
linmin: converged after 3 iterations.
iteration 90: trace = 2.413045686743834 (0.00037884% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.413029389278951 (0.000675392% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.413026337297859 (0.000126479% change)
large trace change predicted (0.000680895%)
linmin: converged after 4 iterations.
iteration 93: trace = 2.413009863321784 (0.000682712% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.413004958688768 (0.000203258% change)
linmin: converged after 3 iterations.
iteration 95: trace = 2.413001010574182 (0.000163618% change)
large trace change predicted (0.000575145%)
linmin: converged after 3 iterations.
iteration 96: trace = 2.41298711078796 (0.000576039% change)
linmin: converged after 4 iterations.
iteration 97: trace = 2.412981993123678 (0.000212089% change)
linmin: converged after 26 iterations.
iteration 98: trace = 2.412974960504182 (0.00029145% change)
linmin: converged after 3 iterations.
iteration 99: trace = 2.412971660124212 (0.000136776% change)
linmin: converged after 5 iterations.
iteration 100: trace = 2.412969726949497 (8.0116e-05% change)
large trace change predicted (0.000185959%)
linmin: converged after 4 iterations.
iteration 101: trace = 2.412965239514389 (0.000185972% change)
linmin: converged after 4 iterations.
iteration 102: trace = 2.41295785452651 (0.000306055% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.412955647658458 (9.14591e-05% change)
large trace change predicted (0.000451444%)
linmin: converged after 4 iterations.
iteration 104: trace = 2.412944804472996 (0.000449375% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.412939591976892 (0.000216022% change)
large trace change predicted (0.000436704%)
linmin: converged after 6 iterations.
iteration 106: trace = 2.412929087882519 (0.000435325% change)
linmin: converged after 5 iterations.
iteration 107: trace = 2.412912388879401 (0.000692066% change)
linmin: converged after 4 iterations.
iteration 108: trace = 2.412882739501967 (0.00122879% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.412866277569273 (0.000682254% change)
large trace change predicted (0.00140455%)
linmin: converged after 4 iterations.
iteration 110: trace = 2.412832877672352 (0.00138425% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.412826963363769 (0.000245119% change)
linmin: converged after 6 iterations.
iteration 112: trace = 2.412818882217 (0.000334925% change)
linmin: converged after 4 iterations.
iteration 113: trace = 2.412807741114174 (0.000461747% change)
linmin: converged after 11 iterations.
iteration 114: trace = 2.412803765774664 (0.00016476% change)
linmin: converged after 7 iterations.
iteration 115: trace = 2.412797334010174 (0.000266568% change)
linmin: converged after 5 iterations.
iteration 116: trace = 2.412796055157039 (5.30029e-05% change)
large trace change predicted (0.000176584%)
linmin: converged after 4 iterations.
iteration 117: trace = 2.412791794264836 (0.000176596% change)
linmin: converged after 20 iterations.
iteration 118: trace = 2.412788959820339 (0.000117476% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.412787814829273 (4.74551e-05% change)
large trace change predicted (0.000215307%)
linmin: converged after 4 iterations.
iteration 120: trace = 2.412782625139613 (0.000215091% change)
linmin: converged after 8 iterations.
iteration 121: trace = 2.412781615544021 (4.18436e-05% change)
large trace change predicted (0.000159471%)
linmin: converged after 8 iterations.
iteration 122: trace = 2.412777772563147 (0.000159276% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.412776290475923 (6.14266e-05% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.412774825733703 (6.07078e-05% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.412773093628529 (7.1789e-05% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.412772033403266 (4.39422e-05% change)
large trace change predicted (0.000143911%)
linmin: converged after 3 iterations.
iteration 127: trace = 2.412768561234267 (0.000143908% change)
linmin: converged after 3 iterations.
iteration 128: trace = 2.412764332147253 (0.00017528% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.412762702402286 (6.75468e-05% change)
large trace change predicted (0.000227105%)
linmin: converged after 4 iterations.
iteration 130: trace = 2.412757229053292 (0.00022685% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.412750308384217 (0.000286837% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.412744971597525 (0.000221191% change)
large trace change predicted (0.000507211%)
linmin: converged after 3 iterations.
iteration 133: trace = 2.412732718407164 (0.000507854% change)
linmin: converged after 7 iterations.
iteration 134: trace = 2.412730962367456 (7.27822e-05% change)
large trace change predicted (0.000324296%)
linmin: converged after 3 iterations.
iteration 135: trace = 2.412723129047391 (0.000324667% change)
linmin: converged after 5 iterations.
iteration 136: trace = 2.412721617793547 (6.26369e-05% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.412719162213405 (0.000101776% change)
linmin: converged after 7 iterations.
iteration 138: trace = 2.412714760983797 (0.000182418% change)
linmin: converged after 4 iterations.
iteration 139: trace = 2.412714244683772 (2.13991e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 140: trace = 2.412713795110151 (1.86335e-05% change)
large trace change predicted (6.16566e-05%)
linmin: converged after 3 iterations.
iteration 141: trace = 2.412712306913474 (6.16815e-05% change)
linmin: converged after 4 iterations.
iteration 142: trace = 2.412711752129087 (2.29942e-05% change)
linmin: converged after 5 iterations.
iteration 143: trace = 2.412711433445376 (1.32085e-05% change)
large trace change predicted (3.65531e-05%)
linmin: converged after 3 iterations.
iteration 144: trace = 2.412710551332244 (3.65611e-05% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.412710001332495 (2.27959e-05% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.412709339104619 (2.74475e-05% change)
linmin: converged after 7 iterations.
iteration 147: trace = 2.412708015349657 (5.48659e-05% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.412707735069079 (1.16168e-05% change)
large trace change predicted (2.46166e-05%)
linmin: converged after 5 iterations.
iteration 149: trace = 2.412707141025387 (2.46215e-05% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.41270611433174 (4.25536e-05% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.41270579969158 (1.3041e-05% change)
large trace change predicted (4.39304e-05%)
linmin: converged after 4 iterations.
iteration 152: trace = 2.412704738726644 (4.39741e-05% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.41270404498078 (2.87539e-05% change)
linmin: converged after 4 iterations.
iteration 154: trace = 2.412703578379837 (1.93393e-05% change)
large trace change predicted (3.8684e-05%)
linmin: converged after 3 iterations.
iteration 155: trace = 2.41270264429435 (3.87153e-05% change)
linmin: converged after 4 iterations.
iteration 156: trace = 2.41270138016885 (5.23946e-05% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.412700869011127 (2.11861e-05% change)
large trace change predicted (5.77342e-05%)
linmin: converged after 4 iterations.
iteration 158: trace = 2.412699474008117 (5.78192e-05% change)
linmin: converged after 5 iterations.
iteration 159: trace = 2.412698218657573 (5.2031e-05% change)
linmin: converged after 4 iterations.
iteration 160: trace = 2.412697424328969 (3.29228e-05% change)
linmin: converged after 3 iterations.
iteration 161: trace = 2.412696294218674 (4.68401e-05% change)
linmin: converged after 4 iterations.
iteration 162: trace = 2.412695413377431 (3.65086e-05% change)
linmin: converged after 20 iterations.
iteration 163: trace = 2.41269430997101 (4.57334e-05% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.412693077402853 (5.10868e-05% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.41269287994695 (8.18405e-06% change)
linmin: converged after 3 iterations.
iteration 166: trace = 2.412692605808744 (1.13623e-05% change)
linmin: converged after 3 iterations.
iteration 167: trace = 2.412692078182679 (2.18688e-05% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.412691978234893 (4.14258e-06% change)
large trace change predicted (1.25531e-05%)
linmin: converged after 4 iterations.
iteration 169: trace = 2.412691675191595 (1.25604e-05% change)
linmin: converged after 5 iterations.
iteration 170: trace = 2.412691532278725 (5.92338e-06% change)
linmin: converged after 5 iterations.
iteration 171: trace = 2.412691333718024 (8.22984e-06% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.412691071224445 (1.08797e-05% change)
linmin: converged after 4 iterations.
iteration 173: trace = 2.412690867505331 (8.44365e-06% change)
large trace change predicted (1.92698e-05%)
linmin: converged after 3 iterations.
iteration 174: trace = 2.412690402508315 (1.9273e-05% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.412689494445571 (3.76369e-05% change)
linmin: converged after 4 iterations.
iteration 176: trace = 2.412689267131884 (9.42159e-06% change)
large trace change predicted (2.9348e-05%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.412688558739286 (2.93611e-05% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.412688132027417 (1.76862e-05% change)
linmin: converged after 4 iterations.
iteration 179: trace = 2.412687768142828 (1.50821e-05% change)
large trace change predicted (6.13005e-05%)
linmin: converged after 5 iterations.
iteration 180: trace = 2.412686288078712 (6.13451e-05% change)
linmin: converged after 4 iterations.
iteration 181: trace = 2.412685924160847 (1.50835e-05% change)
large trace change predicted (4.49615e-05%)
linmin: converged after 3 iterations.
iteration 182: trace = 2.412684838840223 (4.49839e-05% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.412683964333555 (3.62462e-05% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.412683634762118 (1.366e-05% change)
large trace change predicted (2.85959e-05%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.412682944177038 (2.86231e-05% change)
linmin: converged after 21 iterations.
iteration 186: trace = 2.412682252171017 (2.8682e-05% change)
linmin: converged after 5 iterations.
iteration 187: trace = 2.412682009678486 (1.00507e-05% change)
large trace change predicted (2.73274e-05%)
linmin: converged after 4 iterations.
iteration 188: trace = 2.412681350332888 (2.73283e-05% change)
linmin: converged after 3 iterations.
iteration 189: trace = 2.412681262096474 (3.65719e-06% change)
linmin: converged after 3 iterations.
iteration 190: trace = 2.412681134826438 (5.27505e-06% change)
large trace change predicted (1.11392e-05%)
linmin: converged after 5 iterations.
iteration 191: trace = 2.412680866043328 (1.11404e-05% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.4126808264136 (1.64256e-06% change)
large trace change predicted (1.20563e-05%)
linmin: converged after 7 iterations.
iteration 193: trace = 2.41268053555182 (1.20555e-05% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.412680402474456 (5.51575e-06% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.412680287998102 (4.74478e-06% change)
large trace change predicted (1.8074e-05%)
linmin: converged after 4 iterations.
iteration 196: trace = 2.412679852029748 (1.80699e-05% change)
linmin: converged after 3 iterations.
iteration 197: trace = 2.412679516370597 (1.39123e-05% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.412679155864843 (1.49421e-05% change)
large trace change predicted (6.2203e-05%)
linmin: converged after 4 iterations.
iteration 199: trace = 2.412677654625708 (6.22229e-05% change)
linmin: converged after 5 iterations.
iteration 200: trace = 2.412677374183402 (1.16237e-05% change)
large trace change predicted (5.1361e-05%)
linmin: converged after 5 iterations.
iteration 201: trace = 2.412676134604486 (5.13777e-05% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.412675245015786 (3.68715e-05% change)
linmin: converged after 3 iterations.
iteration 203: trace = 2.412674862142604 (1.58692e-05% change)
large trace change predicted (5.06774e-05%)
linmin: converged after 4 iterations.
iteration 204: trace = 2.41267363934473 (5.06823e-05% change)
linmin: converged after 3 iterations.
iteration 205: trace = 2.412673242942164 (1.643e-05% change)
linmin: converged after 5 iterations.
iteration 206: trace = 2.412672626171718 (2.55638e-05% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.412672131228316 (2.05143e-05% change)
linmin: converged after 4 iterations.
iteration 208: trace = 2.412671827786987 (1.2577e-05% change)
large trace change predicted (3.40714e-05%)
linmin: converged after 4 iterations.
iteration 209: trace = 2.412671005801497 (3.40695e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.412670641830589 (1.50858e-05% change)
linmin: converged after 5 iterations.
iteration 211: trace = 2.412670529000208 (4.67658e-06% change)
large trace change predicted (1.04561e-05%)
linmin: converged after 4 iterations.
iteration 212: trace = 2.412670276853772 (1.04509e-05% change)
linmin: converged after 5 iterations.
iteration 213: trace = 2.41267005892408 (9.03272e-06% change)
linmin: converged after 4 iterations.
iteration 214: trace = 2.412669942685584 (4.81784e-06% change)
large trace change predicted (1.67786e-05%)
linmin: converged after 3 iterations.
iteration 215: trace = 2.412669537939716 (1.67759e-05% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.41266945347015 (3.50108e-06% change)
large trace change predicted (9.85233e-06%)
linmin: converged after 4 iterations.
iteration 217: trace = 2.412669215731066 (9.85378e-06% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.412668921994908 (1.21747e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.41266883811821 (3.47651e-06% change)
large trace change predicted (1.30474e-05%)
linmin: converged after 4 iterations.
iteration 220: trace = 2.412668523337981 (1.3047e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.412668223683091 (1.24201e-05% change)
linmin: converged after 4 iterations.
iteration 222: trace = 2.412668113445152 (4.56913e-06% change)
large trace change predicted (9.19443e-06%)
linmin: converged after 3 iterations.
iteration 223: trace = 2.412667891553012 (9.19696e-06% change)
linmin: converged after 5 iterations.
iteration 224: trace = 2.412667580826945 (1.28789e-05% change)
linmin: converged after 3 iterations.
iteration 225: trace = 2.412667426254225 (6.40671e-06% change)
large trace change predicted (1.78686e-05%)
linmin: converged after 3 iterations.
iteration 226: trace = 2.412666995135434 (1.7869e-05% change)
linmin: converged after 3 iterations.
iteration 227: trace = 2.412666802715315 (7.97541e-06% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.412666435404577 (1.52243e-05% change)
linmin: converged after 4 iterations.
iteration 229: trace = 2.412666130700489 (1.26294e-05% change)
linmin: converged after 4 iterations.
iteration 230: trace = 2.412665877110246 (1.05108e-05% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.412665382099508 (2.05172e-05% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.412664783984475 (2.47906e-05% change)
linmin: converged after 14 iterations.
iteration 233: trace = 2.412664682683589 (4.19871e-06% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.412664481852494 (8.32404e-06% change)
linmin: converged after 8 iterations.
iteration 235: trace = 2.412664315383743 (6.89979e-06% change)
linmin: converged after 2 iterations.
iteration 236: trace = 2.412664250177639 (2.70266e-06% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.412664169659182 (3.33733e-06% change)
linmin: converged after 4 iterations.
iteration 238: trace = 2.412664021244686 (6.15148e-06% change)
linmin: converged after 3 iterations.
iteration 239: trace = 2.412664001473559 (8.19473e-07% change)
large trace change predicted (4.28054e-06%)
linmin: converged after 28 iterations.
iteration 240: trace = 2.412663898202072 (4.28039e-06% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.412663783452443 (4.75614e-06% change)
linmin: converged after 3 iterations.
iteration 242: trace = 2.412663731581536 (2.14994e-06% change)
large trace change predicted (1.03009e-05%)
linmin: converged after 5 iterations.
iteration 243: trace = 2.412663483257846 (1.02925e-05% change)
linmin: converged after 4 iterations.
iteration 244: trace = 2.412663197127385 (1.18595e-05% change)
linmin: converged after 5 iterations.
iteration 245: trace = 2.412662979195149 (9.03285e-06% change)
linmin: converged after 5 iterations.
iteration 246: trace = 2.412662720448691 (1.07245e-05% change)
linmin: converged after 11 iterations.
iteration 247: trace = 2.412662475665402 (1.01458e-05% change)
linmin: converged after 5 iterations.
iteration 248: trace = 2.412662231499839 (1.01202e-05% change)
linmin: converged after 8 iterations.
iteration 249: trace = 2.412661778846366 (1.87616e-05% change)
linmin: converged after 4 iterations.
iteration 250: trace = 2.412661646529992 (5.48425e-06% change)
large trace change predicted (2.29079e-05%)
linmin: converged after 6 iterations.
iteration 251: trace = 2.412661094551263 (2.28784e-05% change)
linmin: converged after 4 iterations.
iteration 252: trace = 2.41266045540582 (2.64913e-05% change)
linmin: converged after 4 iterations.
iteration 253: trace = 2.412660330834369 (5.16324e-06% change)
linmin: converged after 5 iterations.
iteration 254: trace = 2.412660088017616 (1.00643e-05% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.412659753374383 (1.38703e-05% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.412659689278247 (2.65666e-06% change)
large trace change predicted (1.06085e-05%)
linmin: converged after 5 iterations.
iteration 257: trace = 2.412659433394985 (1.06059e-05% change)
linmin: converged after 3 iterations.
iteration 258: trace = 2.41265939819889 (1.45881e-06% change)
large trace change predicted (3.25859e-06%)
linmin: converged after 2 iterations.
iteration 259: trace = 2.412659319569637 (3.25903e-06% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.412659193138797 (5.24031e-06% change)
linmin: converged after 4 iterations.
iteration 261: trace = 2.412659148262438 (1.86004e-06% change)
large trace change predicted (4.57325e-06%)
linmin: converged after 3 iterations.
iteration 262: trace = 2.412659037928812 (4.57311e-06% change)
large trace change predicted (9.99942e-06%)
linmin: converged after 3 iterations.
iteration 263: trace = 2.412658796722827 (9.99752e-06% change)
linmin: converged after 2 iterations.
iteration 264: trace = 2.412658738736654 (2.40341e-06% change)
large trace change predicted (8.07785e-06%)
linmin: converged after 2 iterations.
iteration 265: trace = 2.412658543839925 (8.07809e-06% change)
large trace change predicted (1.85307e-05%)
linmin: converged after 3 iterations.
iteration 266: trace = 2.412658096780619 (1.85297e-05% change)
linmin: converged after 18 iterations.
iteration 267: trace = 2.412658002593856 (3.90386e-06% change)
large trace change predicted (3.77283e-05%)
linmin: converged after 3 iterations.
iteration 268: trace = 2.412657092188933 (3.77345e-05% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.412656429543355 (2.74654e-05% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.41265589801858 (2.20307e-05% change)
linmin: converged after 3 iterations.
iteration 271: trace = 2.412655358921608 (2.23445e-05% change)
linmin: converged after 3 iterations.
iteration 272: trace = 2.412655030040948 (1.36315e-05% change)
linmin: converged after 3 iterations.
iteration 273: trace = 2.412654517206331 (2.1256e-05% change)
linmin: converged after 4 iterations.
iteration 274: trace = 2.412654104258636 (1.71159e-05% change)
linmin: converged after 2 iterations.
iteration 275: trace = 2.412654008311804 (3.97682e-06% change)
large trace change predicted (1.39559e-05%)
linmin: converged after 4 iterations.
iteration 276: trace = 2.412653671573064 (1.39572e-05% change)
linmin: converged after 9 iterations.
iteration 277: trace = 2.412653422875603 (1.0308e-05% change)
linmin: converged after 16 iterations.
iteration 278: trace = 2.41265322595961 (8.1618e-06% change)
large trace change predicted (2.00162e-05%)
linmin: converged after 3 iterations.
iteration 279: trace = 2.412652742693363 (2.00305e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.412652499213283 (1.00918e-05% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.412652382534406 (4.83612e-06% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.41265228025235 (4.2394e-06% change)
linmin: converged after 5 iterations.
iteration 283: trace = 2.412652203955211 (3.16238e-06% change)
linmin: converged after 5 iterations.
iteration 284: trace = 2.412652078604591 (5.19555e-06% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.412651897560381 (7.50395e-06% change)
linmin: converged after 4 iterations.
iteration 286: trace = 2.412651836057836 (2.54917e-06% change)
large trace change predicted (1.09091e-05%)
linmin: converged after 3 iterations.
iteration 287: trace = 2.412651572821896 (1.09106e-05% change)
linmin: converged after 5 iterations.
iteration 288: trace = 2.412651365715245 (8.58419e-06% change)
linmin: converged after 4 iterations.
iteration 289: trace = 2.412651274368442 (3.78616e-06% change)
large trace change predicted (2.32161e-05%)
linmin: converged after 5 iterations.
iteration 290: trace = 2.412650714164187 (2.32194e-05% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.412650197980265 (2.13949e-05% change)
linmin: converged after 14 iterations.
iteration 292: trace = 2.412650023901272 (7.21526e-06% change)
large trace change predicted (1.46825e-05%)
linmin: converged after 7 iterations.
iteration 293: trace = 2.412649669633992 (1.46837e-05% change)
linmin: converged after 5 iterations.
iteration 294: trace = 2.412649191611654 (1.98132e-05% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.412649120212764 (2.95936e-06% change)
large trace change predicted (1.45801e-05%)
linmin: converged after 3 iterations.
iteration 296: trace = 2.412648768393653 (1.45823e-05% change)
linmin: converged after 4 iterations.
iteration 297: trace = 2.412648662526927 (4.38799e-06% change)
linmin: converged after 4 iterations.
iteration 298: trace = 2.412648519403908 (5.93219e-06% change)
linmin: converged after 3 iterations.
iteration 299: trace = 2.412648349644698 (7.03622e-06% change)
linmin: converged after 3 iterations.
iteration 300: trace = 2.412648232842123 (4.84126e-06% change)
linmin: converged after 4 iterations.
iteration 301: trace = 2.41264816261973 (2.91059e-06% change)
large trace change predicted (8.08228e-06%)
linmin: converged after 4 iterations.
iteration 302: trace = 2.412647967602745 (8.08311e-06% change)
linmin: converged after 5 iterations.
iteration 303: trace = 2.412647942028923 (1.05999e-06% change)
large trace change predicted (6.21236e-06%)
linmin: converged after 3 iterations.
iteration 304: trace = 2.412647792118586 (6.21352e-06% change)
linmin: converged after 2 iterations.
iteration 305: trace = 2.412647732544191 (2.46925e-06% change)
linmin: converged after 4 iterations.
iteration 306: trace = 2.412647708180303 (1.00984e-06% change)
large trace change predicted (5.58163e-06%)
linmin: converged after 4 iterations.
iteration 307: trace = 2.412647573474179 (5.58333e-06% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.412647489905336 (3.46378e-06% change)
linmin: converged after 3 iterations.
iteration 309: trace = 2.412647457561911 (1.34058e-06% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.412647397836772 (2.4755e-06% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.412647312244798 (3.54764e-06% change)
linmin: converged after 4 iterations.
iteration 312: trace = 2.412647275682161 (1.51546e-06% change)
large trace change predicted (7.70898e-06%)
linmin: converged after 4 iterations.
iteration 313: trace = 2.412647089582336 (7.71351e-06% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.412646991303354 (4.07349e-06% change)
large trace change predicted (1.2663e-05%)
linmin: converged after 3 iterations.
iteration 315: trace = 2.412646685458969 (1.26767e-05% change)
linmin: converged after 4 iterations.
iteration 316: trace = 2.412646421520225 (1.09398e-05% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.412646177249891 (1.01246e-05% change)
linmin: converged after 4 iterations.
iteration 318: trace = 2.412646105544004 (2.97208e-06% change)
large trace change predicted (1.07857e-05%)
linmin: converged after 3 iterations.
iteration 319: trace = 2.412645845148307 (1.0793e-05% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.412645805511652 (1.64287e-06% change)
large trace change predicted (6.90953e-06%)
linmin: converged after 3 iterations.
iteration 321: trace = 2.412645638760237 (6.91156e-06% change)
linmin: converged after 4 iterations.
iteration 322: trace = 2.412645543881315 (3.93257e-06% change)
linmin: converged after 4 iterations.
iteration 323: trace = 2.412645505425639 (1.59392e-06% change)
linmin: converged after 5 iterations.
iteration 324: trace = 2.412645439333454 (2.73941e-06% change)
linmin: converged after 3 iterations.
iteration 325: trace = 2.412645350612028 (3.67735e-06% change)
linmin: converged after 4 iterations.
iteration 326: trace = 2.412645332911752 (7.33646e-07% change)
large trace change predicted (4.13889e-06%)
linmin: converged after 3 iterations.
iteration 327: trace = 2.412645233040211 (4.1395e-06% change)
linmin: converged after 14 iterations.
iteration 328: trace = 2.412645203184484 (1.23747e-06% change)
linmin: converged after 3 iterations.
iteration 329: trace = 2.412645181289248 (9.0752e-07% change)
large trace change predicted (2.92479e-06%)
linmin: converged after 4 iterations.
iteration 330: trace = 2.412645110725745 (2.92474e-06% change)
linmin: converged after 2 iterations.
iteration 331: trace = 2.412645079210439 (1.30626e-06% change)
linmin: converged after 4 iterations.
iteration 332: trace = 2.412645016555152 (2.59695e-06% change)
linmin: converged after 5 iterations.
iteration 333: trace = 2.412644934169797 (3.41473e-06% change)
linmin: converged after 4 iterations.
iteration 334: trace = 2.412644856765547 (3.20827e-06% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.412644734871159 (5.05231e-06% change)
linmin: converged after 3 iterations.
iteration 336: trace = 2.412644539766192 (8.08677e-06% change)
linmin: converged after 3 iterations.
iteration 337: trace = 2.412644430541675 (4.52717e-06% change)
large trace change predicted (1.24159e-05%)
linmin: converged after 4 iterations.
iteration 338: trace = 2.412644131023137 (1.24145e-05% change)
linmin: converged after 5 iterations.
iteration 339: trace = 2.412643882971502 (1.02813e-05% change)
linmin: converged after 4 iterations.
iteration 340: trace = 2.412643726380697 (6.49042e-06% change)
linmin: converged after 3 iterations.
iteration 341: trace = 2.412643540563209 (7.70182e-06% change)
linmin: converged after 5 iterations.
iteration 342: trace = 2.412643423179353 (4.86536e-06% change)
linmin: converged after 4 iterations.
iteration 343: trace = 2.412643334084952 (3.69281e-06% change)
linmin: converged after 3 iterations.
iteration 344: trace = 2.412643171690913 (6.73096e-06% change)
linmin: converged after 4 iterations.
iteration 345: trace = 2.412643149287357 (9.2859e-07% change)
large trace change predicted (2.85708e-06%)
linmin: converged after 3 iterations.
iteration 346: trace = 2.412643080367303 (2.85662e-06% change)
linmin: converged after 3 iterations.
iteration 347: trace = 2.41264302505136 (2.29275e-06% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.412643004927425 (8.34103e-07% change)
large trace change predicted (3.61792e-06%)
linmin: converged after 3 iterations.
iteration 349: trace = 2.412642917646239 (3.61766e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 350: trace = 2.412642859445579 (2.41232e-06% change)
linmin: converged after 23 iterations.
iteration 351: trace = 2.412642844813104 (6.06492e-07% change)
large trace change predicted (1.70473e-06%)
linmin: converged after 3 iterations.
iteration 352: trace = 2.412642803688283 (1.70455e-06% change)
linmin: converged after 6 iterations.
iteration 353: trace = 2.412642759301845 (1.83974e-06% change)
linmin: converged after 4 iterations.
iteration 354: trace = 2.412642744248763 (6.23925e-07% change)
large trace change predicted (4.72137e-06%)
linmin: converged after 4 iterations.
iteration 355: trace = 2.412642630332591 (4.72163e-06% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.412642589756975 (1.68179e-06% change)
large trace change predicted (5.04259e-06%)
linmin: converged after 3 iterations.
iteration 357: trace = 2.412642468081529 (5.04324e-06% change)
linmin: converged after 4 iterations.
iteration 358: trace = 2.412642375922279 (3.81985e-06% change)
linmin: converged after 4 iterations.
iteration 359: trace = 2.412642328216889 (1.97731e-06% change)
large trace change predicted (9.25169e-06%)
linmin: converged after 3 iterations.
iteration 360: trace = 2.41264210501252 (9.25145e-06% change)
linmin: converged after 25 iterations.
iteration 361: trace = 2.41264190884885 (8.13066e-06% change)
linmin: converged after 5 iterations.
iteration 362: trace = 2.41264181472791 (3.90116e-06% change)
linmin: converged after 3 iterations.
iteration 363: trace = 2.412641643121817 (7.11279e-06% change)
linmin: converged after 4 iterations.
iteration 364: trace = 2.412641531498043 (4.62662e-06% change)
linmin: converged after 2 iterations.
iteration 365: trace = 2.412641483554933 (1.98716e-06% change)
large trace change predicted (4.8557e-06%)
linmin: converged after 3 iterations.
iteration 366: trace = 2.412641366411219 (4.85541e-06% change)
linmin: converged after 23 iterations.
iteration 367: trace = 2.412641317770237 (2.01609e-06% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.41264129264454 (1.04142e-06% change)
linmin: converged after 3 iterations.
iteration 369: trace = 2.412641255843273 (1.52535e-06% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.412641206702936 (2.03679e-06% change)
linmin: converged after 5 iterations.
iteration 371: trace = 2.412641193433993 (5.49976e-07% change)
large trace change predicted (2.88416e-06%)
linmin: converged after 12 iterations.
iteration 372: trace = 2.412641123854957 (2.88394e-06% change)
linmin: converged after 6 iterations.
iteration 373: trace = 2.412641111673959 (5.04882e-07% change)
large trace change predicted (2.18833e-06%)
linmin: converged after 3 iterations.
iteration 374: trace = 2.412641058883741 (2.18807e-06% change)
linmin: converged after 2 iterations.
iteration 375: trace = 2.412641021181182 (1.56271e-06% change)
linmin: converged after 3 iterations.
iteration 376: trace = 2.412641007196029 (5.79662e-07% change)
large trace change predicted (2.3571e-06%)
linmin: converged after 3 iterations.
iteration 377: trace = 2.412640950335902 (2.35676e-06% change)
linmin: converged after 3 iterations.
iteration 378: trace = 2.412640872040208 (3.24523e-06% change)
linmin: converged after 9 iterations.
iteration 379: trace = 2.412640857046176 (6.21478e-07% change)
large trace change predicted (4.68049e-06%)
linmin: converged after 4 iterations.
iteration 380: trace = 2.412640744163901 (4.67878e-06% change)
linmin: converged after 4 iterations.
iteration 381: trace = 2.412640680759552 (2.62801e-06% change)
linmin: converged after 5 iterations.
iteration 382: trace = 2.412640631533238 (2.04035e-06% change)
large trace change predicted (1.0186e-05%)
linmin: converged after 4 iterations.
iteration 383: trace = 2.412640386046092 (1.0175e-05% change)
linmin: converged after 4 iterations.
iteration 384: trace = 2.41264017655295 (8.68315e-06% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.412640111861084 (2.68137e-06% change)
linmin: converged after 3 iterations.
iteration 386: trace = 2.412640001020523 (4.59416e-06% change)
linmin: converged after 4 iterations.
iteration 387: trace = 2.412639906186659 (3.93071e-06% change)
linmin: converged after 8 iterations.
iteration 388: trace = 2.412639875163693 (1.28585e-06% change)
large trace change predicted (3.61999e-06%)
linmin: converged after 4 iterations.
iteration 389: trace = 2.412639787843438 (3.61928e-06% change)
linmin: converged after 4 iterations.
iteration 390: trace = 2.412639730956203 (2.35788e-06% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.412639697743978 (1.37659e-06% change)
large trace change predicted (2.82443e-06%)
linmin: converged after 3 iterations.
iteration 392: trace = 2.412639629618678 (2.82368e-06% change)
linmin: converged after 4 iterations.
iteration 393: trace = 2.412639614807787 (6.13887e-07% change)
large trace change predicted (1.80279e-06%)
linmin: converged after 4 iterations.
iteration 394: trace = 2.412639571322255 (1.8024e-06% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.412639520785221 (2.09468e-06% change)
linmin: converged after 4 iterations.
iteration 396: trace = 2.412639509208852 (4.79822e-07% change)
large trace change predicted (3.38565e-06%)
linmin: converged after 8 iterations.
iteration 397: trace = 2.412639427535376 (3.38523e-06% change)
linmin: converged after 3 iterations.
iteration 398: trace = 2.412639395629452 (1.32245e-06% change)
linmin: converged after 11 iterations.
iteration 399: trace = 2.412639348248921 (1.96385e-06% change)
linmin: converged after 3 iterations.
iteration 400: trace = 2.412639294455711 (2.22964e-06% change)
linmin: converged after 2 iterations.
iteration 401: trace = 2.412639258035655 (1.50955e-06% change)
linmin: converged after 3 iterations.
iteration 402: trace = 2.412639190554862 (2.79697e-06% change)
linmin: converged after 20 iterations.
iteration 403: trace = 2.41263905959015 (5.42828e-06% change)
linmin: converged after 3 iterations.
iteration 404: trace = 2.412639025377223 (1.41807e-06% change)
large trace change predicted (8.1116e-06%)
linmin: converged after 3 iterations.
iteration 405: trace = 2.412638829658797 (8.11221e-06% change)
linmin: converged after 9 iterations.
iteration 406: trace = 2.412638654950277 (7.24139e-06% change)
linmin: converged after 3 iterations.
iteration 407: trace = 2.412638598791363 (2.3277e-06% change)
large trace change predicted (1.43761e-05%)
linmin: converged after 5 iterations.
iteration 408: trace = 2.412638251955339 (1.43758e-05% change)
linmin: converged after 5 iterations.
iteration 409: trace = 2.41263806804024 (7.62299e-06% change)
linmin: converged after 4 iterations.
iteration 410: trace = 2.412637954368074 (4.71153e-06% change)
linmin: converged after 2 iterations.
iteration 411: trace = 2.4126378702081 (3.4883e-06% change)
linmin: converged after 3 iterations.
iteration 412: trace = 2.412637808358002 (2.56359e-06% change)
linmin: converged after 11 iterations.
iteration 413: trace = 2.412637747018324 (2.54243e-06% change)
linmin: converged after 2 iterations.
iteration 414: trace = 2.412637670086128 (3.18872e-06% change)
linmin: converged after 2 iterations.
iteration 415: trace = 2.41263763000963 (1.66111e-06% change)
linmin: converged after 2 iterations.
iteration 416: trace = 2.412637610893117 (7.92349e-07% change)
large trace change predicted (1.72997e-06%)
linmin: converged after 23 iterations.
iteration 417: trace = 2.412637569153494 (1.73004e-06% change)
linmin: converged after 4 iterations.
iteration 418: trace = 2.412637520374493 (2.02181e-06% change)
linmin: converged after 4 iterations.
iteration 419: trace = 2.412637490056796 (1.25662e-06% change)
resetting CG direction...
linmin: converged after 37 iterations.
iteration 420: trace = 2.412637461836419 (1.16969e-06% change)
linmin: converged after 26 iterations.
iteration 421: trace = 2.412637422063909 (1.64851e-06% change)
linmin: converged after 10 iterations.
iteration 422: trace = 2.412637385152995 (1.5299e-06% change)
linmin: converged after 3 iterations.
iteration 423: trace = 2.412637370796596 (5.9505e-07% change)
large trace change predicted (1.80367e-06%)
linmin: converged after 2 iterations.
iteration 424: trace = 2.412637327279852 (1.8037e-06% change)
linmin: converged after 3 iterations.
iteration 425: trace = 2.412637258979955 (2.83092e-06% change)
linmin: converged after 4 iterations.
iteration 426: trace = 2.412637239659023 (8.00822e-07% change)
large trace change predicted (3.59485e-06%)
linmin: converged after 7 iterations.
iteration 427: trace = 2.412637152925136 (3.59498e-06% change)
linmin: converged after 3 iterations.
iteration 428: trace = 2.412637091234963 (2.55696e-06% change)
linmin: converged after 5 iterations.
iteration 429: trace = 2.412637052961576 (1.58637e-06% change)
large trace change predicted (8.00613e-06%)
linmin: converged after 3 iterations.
iteration 430: trace = 2.412636859775859 (8.00724e-06% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.412636737527146 (5.06702e-06% change)
linmin: converged after 5 iterations.
iteration 432: trace = 2.412636571570054 (6.87866e-06% change)
linmin: converged after 3 iterations.
iteration 433: trace = 2.412636453794437 (4.88161e-06% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.41263637227653 (3.37879e-06% change)
linmin: converged after 4 iterations.
iteration 435: trace = 2.412636272347467 (4.1419e-06% change)
linmin: converged after 3 iterations.
iteration 436: trace = 2.412636181631174 (3.76005e-06% change)
linmin: converged after 3 iterations.
iteration 437: trace = 2.412636132225534 (2.04779e-06% change)
linmin: converged after 5 iterations.
iteration 438: trace = 2.412636113738276 (7.66268e-07% change)
linmin: converged after 5 iterations.
iteration 439: trace = 2.412636076883901 (1.52756e-06% change)
linmin: converged after 21 iterations.
iteration 440: trace = 2.412636046674913 (1.25212e-06% change)
linmin: converged after 25 iterations.
iteration 441: trace = 2.412636033138629 (5.61058e-07% change)
large trace change predicted (2.01909e-06%)
linmin: converged after 3 iterations.
iteration 442: trace = 2.412635984420391 (2.01929e-06% change)
linmin: converged after 6 iterations.
iteration 443: trace = 2.412635978767852 (2.34289e-07% change)
large trace change predicted (1.72274e-06%)
linmin: converged after 3 iterations.
iteration 444: trace = 2.412635937196194 (1.72308e-06% change)
linmin: converged after 3 iterations.
iteration 445: trace = 2.41263591745279 (8.18333e-07% change)
linmin: converged after 13 iterations.
iteration 446: trace = 2.412635907137475 (4.27554e-07% change)
large trace change predicted (1.84736e-06%)
linmin: converged after 4 iterations.
iteration 447: trace = 2.412635862549712 (1.84809e-06% change)
linmin: converged after 3 iterations.
iteration 448: trace = 2.412635846399404 (6.69405e-07% change)
large trace change predicted (1.37742e-06%)
linmin: converged after 6 iterations.
iteration 449: trace = 2.412635813159552 (1.37774e-06% change)
linmin: converged after 5 iterations.
iteration 450: trace = 2.412635770365978 (1.77373e-06% change)
linmin: converged after 2 iterations.
iteration 451: trace = 2.412635750730444 (8.13862e-07% change)
large trace change predicted (1.79047e-06%)
linmin: converged after 5 iterations.
iteration 452: trace = 2.412635707525042 (1.7908e-06% change)
linmin: converged after 3 iterations.
iteration 453: trace = 2.412635632280543 (3.11877e-06% change)
linmin: converged after 2 iterations.
iteration 454: trace = 2.412635606637174 (1.06288e-06% change)
large trace change predicted (4.82637e-06%)
linmin: converged after 3 iterations.
iteration 455: trace = 2.41263549011407 (4.8297e-06% change)
linmin: converged after 3 iterations.
iteration 456: trace = 2.412635412984554 (3.1969e-06% change)
linmin: converged after 5 iterations.
iteration 457: trace = 2.412635330996352 (3.39828e-06% change)
linmin: converged after 3 iterations.
iteration 458: trace = 2.412635285448702 (1.88788e-06% change)
linmin: converged after 4 iterations.
iteration 459: trace = 2.412635209854777 (3.13325e-06% change)
linmin: converged after 2 iterations.
iteration 460: trace = 2.412635200585132 (3.84212e-07% change)
large trace change predicted (1.50984e-06%)
linmin: converged after 3 iterations.
iteration 461: trace = 2.412635164153197 (1.51005e-06% change)
linmin: converged after 4 iterations.
iteration 462: trace = 2.41263513479678 (1.21678e-06% change)
linmin: converged after 2 iterations.
iteration 463: trace = 2.412635126557433 (3.41508e-07% change)
large trace change predicted (7.16386e-07%)
linmin: converged after 2 iterations.
iteration 464: trace = 2.412635109273548 (7.1639e-07% change)
linmin: converged after 4 iterations.
iteration 465: trace = 2.41263508246062 (1.11135e-06% change)
linmin: converged after 2 iterations.
iteration 466: trace = 2.412635075327449 (2.95659e-07% change)
large trace change predicted (1.43069e-06%)
linmin: converged after 3 iterations.
iteration 467: trace = 2.412635040809578 (1.43071e-06% change)
linmin: converged after 19 iterations.
iteration 468: trace = 2.412635035295058 (2.28568e-07% change)
large trace change predicted (6.50671e-07%)
linmin: converged after 3 iterations.
iteration 469: trace = 2.412635019596424 (6.50684e-07% change)
linmin: converged after 3 iterations.
iteration 470: trace = 2.412634992251697 (1.1334e-06% change)
linmin: converged after 3 iterations.
iteration 471: trace = 2.412634986950811 (2.19714e-07% change)
large trace change predicted (1.39549e-06%)
linmin: converged after 3 iterations.
iteration 472: trace = 2.412634953285932 (1.39536e-06% change)
linmin: converged after 6 iterations.
iteration 473: trace = 2.412634914603901 (1.60331e-06% change)
linmin: converged after 5 iterations.
iteration 474: trace = 2.41263489795668 (6.90002e-07% change)
large trace change predicted (2.33508e-06%)
linmin: converged after 3 iterations.
iteration 475: trace = 2.412634841612952 (2.33536e-06% change)
linmin: converged after 5 iterations.
iteration 476: trace = 2.412634784959861 (2.34818e-06% change)
linmin: converged after 2 iterations.
iteration 477: trace = 2.412634757823982 (1.12474e-06% change)
large trace change predicted (4.58615e-06%)
linmin: converged after 4 iterations.
iteration 478: trace = 2.412634647181987 (4.58594e-06% change)
linmin: converged after 4 iterations.
iteration 479: trace = 2.41263460232079 (1.85943e-06% change)
linmin: converged after 5 iterations.
iteration 480: trace = 2.41263452617724 (3.15603e-06% change)
linmin: converged after 3 iterations.
iteration 481: trace = 2.412634473371547 (2.18871e-06% change)
linmin: converged after 19 iterations.
iteration 482: trace = 2.412634433120973 (1.66832e-06% change)
linmin: converged after 4 iterations.
iteration 483: trace = 2.412634419686824 (5.56825e-07% change)
large trace change predicted (1.73249e-06%)
linmin: converged after 3 iterations.
iteration 484: trace = 2.412634377890523 (1.73239e-06% change)
linmin: converged after 5 iterations.
iteration 485: trace = 2.412634372053955 (2.41917e-07% change)
large trace change predicted (8.30937e-07%)
linmin: converged after 16 iterations.
iteration 486: trace = 2.412634352006608 (8.30932e-07% change)
linmin: converged after 4 iterations.
iteration 487: trace = 2.412634338410168 (5.63552e-07% change)
linmin: converged after 33 iterations.
iteration 488: trace = 2.412634332981738 (2.25e-07% change)
large trace change predicted (7.47497e-07%)
linmin: converged after 2 iterations.
iteration 489: trace = 2.412634314947199 (7.47504e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.412634300150948 (6.13282e-07% change)
linmin: converged after 6 iterations.
iteration 491: trace = 2.412634295241867 (2.03474e-07% change)
large trace change predicted (5.46002e-07%)
linmin: converged after 4 iterations.
iteration 492: trace = 2.412634282068757 (5.46005e-07% change)
linmin: converged after 4 iterations.
iteration 493: trace = 2.412634265485243 (6.87361e-07% change)
linmin: converged after 3 iterations.
iteration 494: trace = 2.412634260110126 (2.2279e-07% change)
large trace change predicted (1.6288e-06%)
linmin: converged after 2 iterations.
iteration 495: trace = 2.412634220812826 (1.62881e-06% change)
linmin: converged after 23 iterations.
iteration 496: trace = 2.41263421181123 (3.73102e-07% change)
large trace change predicted (9.92174e-07%)
linmin: converged after 19 iterations.
iteration 497: trace = 2.412634187873508 (9.92182e-07% change)
large trace change predicted (2.26742e-06%)
linmin: converged after 4 iterations.
iteration 498: trace = 2.412634133169127 (2.26741e-06% change)
linmin: converged after 3 iterations.
iteration 499: trace = 2.412634119882701 (5.50702e-07% change)
large trace change predicted (3.23838e-06%)
linmin: converged after 5 iterations.
iteration 500: trace = 2.412634041749078 (3.23852e-06% change)
linmin: converged after 3 iterations.
iteration 501: trace = 2.412633963062304 (3.26145e-06% change)
linmin: converged after 3 iterations.
iteration 502: trace = 2.412633939997421 (9.56004e-07% change)
linmin: converged after 3 iterations.
iteration 503: trace = 2.41263389600519 (1.82341e-06% change)
linmin: converged after 5 iterations.
iteration 504: trace = 2.412633851756059 (1.83406e-06% change)
linmin: converged after 3 iterations.
iteration 505: trace = 2.412633836871628 (6.16937e-07% change)
large trace change predicted (1.52743e-06%)
linmin: converged after 3 iterations.
iteration 506: trace = 2.41263380001807 (1.52752e-06% change)
linmin: converged after 19 iterations.
iteration 507: trace = 2.412633779144836 (8.65164e-07% change)
linmin: converged after 3 iterations.
iteration 508: trace = 2.412633772650124 (2.69196e-07% change)
linmin: converged after 3 iterations.
iteration 509: trace = 2.41263376084543 (4.89287e-07% change)
linmin: converged after 3 iterations.
iteration 510: trace = 2.412633742575502 (7.57261e-07% change)
linmin: converged after 3 iterations.
iteration 511: trace = 2.412633738690095 (1.61044e-07% change)
large trace change predicted (9.53845e-07%)
linmin: converged after 8 iterations.
iteration 512: trace = 2.412633715678568 (9.53793e-07% change)
linmin: converged after 13 iterations.
iteration 513: trace = 2.412633712018798 (1.51692e-07% change)
large trace change predicted (7.4822e-07%)
linmin: converged after 4 iterations.
iteration 514: trace = 2.412633693968217 (7.48169e-07% change)
linmin: converged after 2 iterations.
iteration 515: trace = 2.412633677830488 (6.68884e-07% change)
linmin: converged after 7 iterations.
iteration 516: trace = 2.412633673498156 (1.79569e-07% change)
large trace change predicted (9.78752e-07%)
linmin: converged after 3 iterations.
iteration 517: trace = 2.412633649886695 (9.78659e-07% change)
linmin: converged after 4 iterations.
iteration 518: trace = 2.412633624126148 (1.06774e-06% change)
linmin: converged after 2 iterations.
iteration 519: trace = 2.41263361841423 (2.3675e-07% change)
large trace change predicted (1.47906e-06%)
linmin: converged after 3 iterations.
iteration 520: trace = 2.412633582735239 (1.47884e-06% change)
linmin: converged after 7 iterations.
iteration 521: trace = 2.412633546948009 (1.48333e-06% change)
linmin: converged after 4 iterations.
iteration 522: trace = 2.41263348544075 (2.54938e-06% change)
linmin: converged after 12 iterations.
iteration 523: trace = 2.412633439590564 (1.90042e-06% change)
linmin: converged after 5 iterations.
iteration 524: trace = 2.412633370423544 (2.86687e-06% change)
linmin: converged after 3 iterations.
iteration 525: trace = 2.412633347840773 (9.36022e-07% change)
linmin: converged after 3 iterations.
iteration 526: trace = 2.412633307955387 (1.65319e-06% change)
linmin: converged after 3 iterations.
iteration 527: trace = 2.412633273147848 (1.44272e-06% change)
linmin: converged after 29 iterations.
iteration 528: trace = 2.412633262489179 (4.41786e-07% change)
large trace change predicted (1.30939e-06%)
linmin: converged after 3 iterations.
iteration 529: trace = 2.412633230905143 (1.30911e-06% change)
linmin: converged after 3 iterations.
iteration 530: trace = 2.412633206840749 (9.97433e-07% change)
linmin: converged after 13 iterations.
iteration 531: trace = 2.412633200936574 (2.44719e-07% change)
large trace change predicted (1.05694e-06%)
linmin: converged after 3 iterations.
iteration 532: trace = 2.412633175442258 (1.0567e-06% change)
linmin: converged after 10 iterations.
iteration 533: trace = 2.412633168222967 (2.99229e-07% change)
linmin: converged after 3 iterations.
iteration 534: trace = 2.412633158476981 (4.03956e-07% change)
large trace change predicted (9.6653e-07%)
linmin: converged after 4 iterations.
iteration 535: trace = 2.412633135161465 (9.66393e-07% change)
linmin: converged after 4 iterations.
iteration 536: trace = 2.41263312653655 (3.5749e-07% change)
large trace change predicted (7.73713e-07%)
linmin: converged after 4 iterations.
iteration 537: trace = 2.412633107870155 (7.73694e-07% change)
linmin: converged after 4 iterations.
iteration 538: trace = 2.412633097143944 (4.44585e-07% change)
linmin: converged after 4 iterations.
iteration 539: trace = 2.412633087428071 (4.02708e-07% change)
large trace change predicted (9.79657e-07%)
linmin: converged after 6 iterations.
iteration 540: trace = 2.412633063790916 (9.79724e-07% change)
linmin: converged after 3 iterations.
iteration 541: trace = 2.412633039678841 (9.99409e-07% change)
linmin: converged after 2 iterations.
iteration 542: trace = 2.41263302600683 (5.66684e-07% change)
large trace change predicted (1.72997e-06%)
linmin: converged after 3 iterations.
iteration 543: trace = 2.412632984268974 (1.72997e-06% change)
linmin: converged after 9 iterations.
iteration 544: trace = 2.412632956748031 (1.1407e-06% change)
linmin: converged after 16 iterations.
iteration 545: trace = 2.4126329182803 (1.59443e-06% change)
linmin: converged after 3 iterations.
iteration 546: trace = 2.412632854540752 (2.64191e-06% change)
linmin: converged after 2 iterations.
iteration 547: trace = 2.412632806870938 (1.97584e-06% change)
large trace change predicted (3.95876e-06%)
linmin: converged after 3 iterations.
iteration 548: trace = 2.4126327113534 (3.95906e-06% change)
linmin: converged after 3 iterations.
iteration 549: trace = 2.412632631852261 (3.2952e-06% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.412632613196227 (7.73265e-07% change)
linmin: converged after 2 iterations.
iteration 551: trace = 2.412632585585498 (1.14442e-06% change)
linmin: converged after 3 iterations.
iteration 552: trace = 2.412632559925147 (1.06358e-06% change)
linmin: converged after 5 iterations.
iteration 553: trace = 2.412632549432359 (4.3491e-07% change)
large trace change predicted (1.0846e-06%)
linmin: converged after 2 iterations.
iteration 554: trace = 2.412632523264577 (1.08462e-06% change)
linmin: converged after 4 iterations.
iteration 555: trace = 2.412632509436549 (5.73151e-07% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.412632503266173 (2.55753e-07% change)
large trace change predicted (5.80132e-07%)
linmin: converged after 3 iterations.
iteration 557: trace = 2.412632489269159 (5.80155e-07% change)
linmin: converged after 3 iterations.
iteration 558: trace = 2.412632477608584 (4.83313e-07% change)
linmin: converged after 2 iterations.
iteration 559: trace = 2.412632465379013 (5.06897e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 560: trace = 2.41263245369378 (4.84335e-07% change)
linmin: converged after 30 iterations.
iteration 561: trace = 2.41263244335804 (4.28401e-07% change)
linmin: converged after 4 iterations.
iteration 562: trace = 2.412632430232763 (5.44023e-07% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.412632423731303 (2.69476e-07% change)
linmin: converged after 3 iterations.
iteration 564: trace = 2.412632410743588 (5.38321e-07% change)
linmin: converged after 2 iterations.
iteration 565: trace = 2.41263238748334 (9.64102e-07% change)
linmin: converged after 6 iterations.
iteration 566: trace = 2.412632377969501 (3.94334e-07% change)
large trace change predicted (8.43205e-07%)
linmin: converged after 8 iterations.
iteration 567: trace = 2.412632357625399 (8.43233e-07% change)
linmin: converged after 4 iterations.
iteration 568: trace = 2.412632330923643 (1.10675e-06% change)
linmin: converged after 3 iterations.
iteration 569: trace = 2.412632316919374 (5.80456e-07% change)
large trace change predicted (2.65367e-06%)
linmin: converged after 3 iterations.
iteration 570: trace = 2.412632252898448 (2.65357e-06% change)
linmin: converged after 2 iterations.
iteration 571: trace = 2.412632189217207 (2.63949e-06% change)
linmin: converged after 4 iterations.
iteration 572: trace = 2.412632144336174 (1.86025e-06% change)
linmin: converged after 4 iterations.
iteration 573: trace = 2.412632097787958 (1.92935e-06% change)
linmin: converged after 3 iterations.
iteration 574: trace = 2.412632061401309 (1.50817e-06% change)
linmin: converged after 4 iterations.
iteration 575: trace = 2.412632048557409 (5.32361e-07% change)
large trace change predicted (1.14498e-06%)
linmin: converged after 5 iterations.
iteration 576: trace = 2.412632020932712 (1.145e-06% change)
linmin: converged after 3 iterations.
iteration 577: trace = 2.412632011126674 (4.06446e-07% change)
linmin: converged after 2 iterations.
iteration 578: trace = 2.412631995874579 (6.32177e-07% change)
linmin: converged after 4 iterations.
iteration 579: trace = 2.41263197896067 (7.01056e-07% change)
linmin: converged after 3 iterations.
iteration 580: trace = 2.412631973942156 (2.0801e-07% change)
linmin: converged after 7 iterations.
iteration 581: trace = 2.412631968292681 (2.34162e-07% change)
large trace change predicted (6.12867e-07%)
linmin: converged after 3 iterations.
iteration 582: trace = 2.412631953505372 (6.12912e-07% change)
linmin: converged after 31 iterations.
iteration 583: trace = 2.412631950336109 (1.31361e-07% change)
large trace change predicted (5.99932e-07%)
linmin: converged after 4 iterations.
iteration 584: trace = 2.412631935859884 (6.00018e-07% change)
linmin: converged after 15 iterations.
iteration 585: trace = 2.41263192768191 (3.38965e-07% change)
linmin: converged after 7 iterations.
iteration 586: trace = 2.412631922863373 (1.99721e-07% change)
large trace change predicted (5.84064e-07%)
linmin: converged after 3 iterations.
iteration 587: trace = 2.412631908769953 (5.84151e-07% change)
linmin: converged after 3 iterations.
iteration 588: trace = 2.41263189445185 (5.93464e-07% change)
linmin: converged after 3 iterations.
iteration 589: trace = 2.412631889210663 (2.17239e-07% change)
large trace change predicted (7.96732e-07%)
linmin: converged after 3 iterations.
iteration 590: trace = 2.412631869986904 (7.96796e-07% change)
linmin: converged after 3 iterations.
iteration 591: trace = 2.41263185711967 (5.33328e-07% change)
linmin: converged after 3 iterations.
iteration 592: trace = 2.412631847821285 (3.85404e-07% change)
large trace change predicted (1.10194e-06%)
linmin: converged after 4 iterations.
iteration 593: trace = 2.412631821232198 (1.10208e-06% change)
linmin: converged after 4 iterations.
iteration 594: trace = 2.412631786206274 (1.45177e-06% change)
linmin: converged after 3 iterations.
iteration 595: trace = 2.41263176985648 (6.77675e-07% change)
large trace change predicted (2.22662e-06%)
linmin: converged after 3 iterations.
iteration 596: trace = 2.412631716096847 (2.22826e-06% change)
linmin: converged after 3 iterations.
iteration 597: trace = 2.412631703763633 (5.11193e-07% change)
linmin: converged after 4 iterations.
iteration 598: trace = 2.412631694597279 (3.79932e-07% change)
large trace change predicted (1.057e-06%)
linmin: converged after 5 iterations.
iteration 599: trace = 2.412631669090178 (1.05723e-06% change)
linmin: converged after 24 iterations.
iteration 600: trace = 2.412631666577382 (1.04152e-07% change)
large trace change predicted (6.32033e-07%)
linmin: converged after 3 iterations.
iteration 601: trace = 2.412631651327268 (6.32095e-07% change)
linmin: converged after 12 iterations.
iteration 602: trace = 2.412631642500072 (3.65874e-07% change)
linmin: converged after 10 iterations.
iteration 603: trace = 2.412631639502962 (1.24226e-07% change)
large trace change predicted (2.7101e-07%)
linmin: converged after 2 iterations.
iteration 604: trace = 2.412631632964456 (2.71011e-07% change)
linmin: converged after 31 iterations.
iteration 605: trace = 2.412631623224284 (4.03716e-07% change)
linmin: converged after 10 iterations.
iteration 606: trace = 2.412631621437908 (7.40426e-08% change)
large trace change predicted (4.79149e-07%)
linmin: converged after 16 iterations.
iteration 607: trace = 2.412631609877675 (4.79154e-07% change)
linmin: converged after 19 iterations.
iteration 608: trace = 2.412631605161407 (1.95482e-07% change)
linmin: converged after 25 iterations.
iteration 609: trace = 2.412631599555391 (2.32361e-07% change)
linmin: converged after 6 iterations.
iteration 610: trace = 2.412631593178603 (2.64308e-07% change)
linmin: converged after 3 iterations.
iteration 611: trace = 2.41263158701481 (2.5548e-07% change)
linmin: converged after 33 iterations.
iteration 612: trace = 2.41263157963608 (3.05837e-07% change)
large trace change predicted (6.98035e-07%)
linmin: converged after 6 iterations.
iteration 613: trace = 2.412631562796769 (6.97964e-07% change)
linmin: converged after 17 iterations.
iteration 614: trace = 2.412631553718684 (3.76273e-07% change)
linmin: converged after 8 iterations.
iteration 615: trace = 2.412631539941835 (5.7103e-07% change)
linmin: converged after 4 iterations.
iteration 616: trace = 2.412631517181493 (9.43382e-07% change)
linmin: converged after 28 iterations.
iteration 617: trace = 2.41263150355989 (5.64595e-07% change)
large trace change predicted (1.18514e-06%)
linmin: converged after 4 iterations.
iteration 618: trace = 2.412631474967517 (1.18511e-06% change)
linmin: converged after 3 iterations.
iteration 619: trace = 2.412631442270336 (1.35525e-06% change)
linmin: converged after 2 iterations.
iteration 620: trace = 2.412631435127363 (2.96066e-07% change)
large trace change predicted (1.13257e-06%)
linmin: converged after 3 iterations.
iteration 621: trace = 2.412631407804125 (1.13251e-06% change)
linmin: converged after 6 iterations.
iteration 622: trace = 2.412631401965749 (2.41992e-07% change)
linmin: converged after 3 iterations.
iteration 623: trace = 2.412631397521911 (1.84191e-07% change)
large trace change predicted (5.10997e-07%)
linmin: converged after 3 iterations.
iteration 624: trace = 2.412631385193774 (5.10983e-07% change)
linmin: converged after 3 iterations.
iteration 625: trace = 2.412631378770197 (2.66248e-07% change)
linmin: converged after 4 iterations.
iteration 626: trace = 2.41263137484718 (1.62603e-07% change)
linmin: converged after 11 iterations.
iteration 627: trace = 2.412631370814226 (1.6716e-07% change)
linmin: converged after 35 iterations.
iteration 628: trace = 2.412631366116999 (1.94693e-07% change)
linmin: converged after 16 iterations.
iteration 629: trace = 2.412631356821822 (3.85271e-07% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 630: trace = 2.412631348575617 (3.41793e-07% change)
linmin: converged after 14 iterations.
iteration 631: trace = 2.412631344775499 (1.57509e-07% change)
linmin: converged after 14 iterations.
iteration 632: trace = 2.41263134037631 (1.8234e-07% change)
linmin: converged after 24 iterations.
iteration 633: trace = 2.412631337019239 (1.39146e-07% change)
linmin: converged after 3 iterations.
iteration 634: trace = 2.412631331932099 (2.10854e-07% change)
large trace change predicted (4.35955e-07%)
linmin: converged after 2 iterations.
iteration 635: trace = 2.412631321414021 (4.35959e-07% change)
linmin: converged after 4 iterations.
iteration 636: trace = 2.412631318506287 (1.20521e-07% change)
linmin: converged after 4 iterations.
iteration 637: trace = 2.412631312746789 (2.38723e-07% change)
large trace change predicted (7.69623e-07%)
linmin: converged after 5 iterations.
iteration 638: trace = 2.412631294178333 (7.69635e-07% change)
linmin: converged after 3 iterations.
iteration 639: trace = 2.412631291034589 (1.30304e-07% change)
large trace change predicted (1.09448e-06%)
linmin: converged after 3 iterations.
iteration 640: trace = 2.412631264628368 (1.0945e-06% change)
linmin: converged after 3 iterations.
iteration 641: trace = 2.41263124912147 (6.42738e-07% change)
linmin: converged after 2 iterations.
iteration 642: trace = 2.412631239439007 (4.01324e-07% change)
large trace change predicted (9.91288e-07%)
linmin: converged after 2 iterations.
iteration 643: trace = 2.412631215522822 (9.91291e-07% change)
linmin: converged after 18 iterations.
iteration 644: trace = 2.412631200366761 (6.28196e-07% change)
linmin: converged after 4 iterations.
iteration 645: trace = 2.412631192481276 (3.26842e-07% change)
large trace change predicted (7.02471e-07%)
linmin: converged after 6 iterations.
iteration 646: trace = 2.412631175532277 (7.02511e-07% change)
linmin: converged after 4 iterations.
iteration 647: trace = 2.412631168356966 (2.97406e-07% change)
linmin: converged after 20 iterations.
iteration 648: trace = 2.412631164524544 (1.58848e-07% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.412631160092022 (1.83721e-07% change)
linmin: converged after 4 iterations.
iteration 650: trace = 2.412631156216765 (1.60624e-07% change)
linmin: converged after 13 iterations.
iteration 651: trace = 2.412631151694931 (1.87423e-07% change)
linmin: converged after 3 iterations.
iteration 652: trace = 2.412631144549845 (2.96153e-07% change)
linmin: converged after 21 iterations.
iteration 653: trace = 2.412631142902795 (6.82678e-08% change)
large trace change predicted (1.86389e-07%)
linmin: converged after 3 iterations.
iteration 654: trace = 2.412631138406192 (1.86378e-07% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.412631130435484 (3.30374e-07% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.41263112839775 (8.4461e-08% change)
large trace change predicted (2.72789e-07%)
linmin: converged after 4 iterations.
iteration 657: trace = 2.412631121816636 (2.72777e-07% change)
linmin: converged after 4 iterations.
iteration 658: trace = 2.412631111959638 (4.08558e-07% change)
linmin: converged after 27 iterations.
iteration 659: trace = 2.412631109871882 (8.65344e-08% change)
large trace change predicted (4.30123e-07%)
linmin: converged after 5 iterations.
iteration 660: trace = 2.412631099495444 (4.30088e-07% change)
linmin: converged after 4 iterations.
iteration 661: trace = 2.412631088750692 (4.45354e-07% change)
linmin: converged after 3 iterations.
iteration 662: trace = 2.412631085005991 (1.55212e-07% change)
large trace change predicted (1.39051e-06%)
linmin: converged after 3 iterations.
iteration 663: trace = 2.412631051470876 (1.38998e-06% change)
linmin: converged after 8 iterations.
iteration 664: trace = 2.412631044534053 (2.87521e-07% change)
large trace change predicted (1.23614e-06%)
linmin: converged after 4 iterations.
iteration 665: trace = 2.412631014718941 (1.23579e-06% change)
linmin: converged after 3 iterations.
iteration 666: trace = 2.41263100083395 (5.75512e-07% change)
linmin: converged after 3 iterations.
iteration 667: trace = 2.412630991920331 (3.69456e-07% change)
linmin: converged after 3 iterations.
iteration 668: trace = 2.412630983382888 (3.53864e-07% change)
linmin: converged after 3 iterations.
iteration 669: trace = 2.412630972064142 (4.69145e-07% change)
linmin: converged after 4 iterations.
iteration 670: trace = 2.412630969681539 (9.87554e-08% change)
large trace change predicted (5.38462e-07%)
linmin: converged after 3 iterations.
iteration 671: trace = 2.412630956692355 (5.38383e-07% change)
linmin: converged after 4 iterations.
iteration 672: trace = 2.412630950687375 (2.48898e-07% change)
linmin: converged after 3 iterations.
iteration 673: trace = 2.412630946401386 (1.77648e-07% change)
linmin: converged after 9 iterations.
iteration 674: trace = 2.41263094178895 (1.91179e-07% change)
linmin: converged after 24 iterations.
iteration 675: trace = 2.412630934478377 (3.03012e-07% change)
linmin: converged after 4 iterations.
iteration 676: trace = 2.412630933127947 (5.59733e-08% change)
large trace change predicted (3.44664e-07%)
linmin: converged after 6 iterations.
iteration 677: trace = 2.412630924812629 (3.44658e-07% change)
linmin: converged after 7 iterations.
iteration 678: trace = 2.412630919927929 (2.02464e-07% change)
linmin: converged after 3 iterations.
iteration 679: trace = 2.41263091635969 (1.47898e-07% change)
linmin: converged after 23 iterations.
iteration 680: trace = 2.412630910426177 (2.45935e-07% change)
linmin: converged after 24 iterations.
iteration 681: trace = 2.412630901972597 (3.50388e-07% change)
linmin: converged after 3 iterations.
iteration 682: trace = 2.412630897961046 (1.66273e-07% change)
large trace change predicted (5.35305e-07%)
linmin: converged after 3 iterations.
iteration 683: trace = 2.412630885046321 (5.35296e-07% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.412630878513609 (2.70771e-07% change)
large trace change predicted (9.49463e-07%)
linmin: converged after 18 iterations.
iteration 685: trace = 2.412630855606361 (9.49472e-07% change)
linmin: converged after 19 iterations.
iteration 686: trace = 2.412630840618719 (6.21216e-07% change)
linmin: converged after 3 iterations.
iteration 687: trace = 2.412630829084438 (4.78079e-07% change)
large trace change predicted (1.5255e-06%)
linmin: converged after 4 iterations.
iteration 688: trace = 2.412630792274733 (1.52571e-06% change)
linmin: converged after 16 iterations.
iteration 689: trace = 2.412630775594847 (6.91357e-07% change)
linmin: converged after 27 iterations.
iteration 690: trace = 2.412630758540615 (7.06873e-07% change)
linmin: converged after 5 iterations.
iteration 691: trace = 2.412630748164281 (4.30084e-07% change)
linmin: converged after 20 iterations.
iteration 692: trace = 2.412630739295457 (3.676e-07% change)
linmin: converged after 12 iterations.
iteration 693: trace = 2.412630734745228 (1.886e-07% change)
linmin: converged after 24 iterations.
iteration 694: trace = 2.412630725898428 (3.66687e-07% change)
linmin: converged after 2 iterations.
iteration 695: trace = 2.412630722953378 (1.22068e-07% change)
linmin: converged after 3 iterations.
iteration 696: trace = 2.412630717528356 (2.24859e-07% change)
linmin: converged after 3 iterations.
iteration 697: trace = 2.412630712908632 (1.91481e-07% change)
linmin: converged after 3 iterations.
iteration 698: trace = 2.412630708134426 (1.97884e-07% change)
linmin: converged after 19 iterations.
iteration 699: trace = 2.412630705452566 (1.11159e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 700: trace = 2.412630702900199 (1.05792e-07% change)
linmin: converged after 7 iterations.
iteration 701: trace = 2.412630698721329 (1.73208e-07% change)
linmin: converged after 7 iterations.
iteration 702: trace = 2.412630694195756 (1.87578e-07% change)
linmin: converged after 20 iterations.
iteration 703: trace = 2.412630691729648 (1.02217e-07% change)
large trace change predicted (2.11554e-07%)
linmin: converged after 3 iterations.
iteration 704: trace = 2.412630686625747 (2.11549e-07% change)
linmin: converged after 3 iterations.
iteration 705: trace = 2.412630679417385 (2.98776e-07% change)
linmin: converged after 4 iterations.
iteration 706: trace = 2.412630676464367 (1.22398e-07% change)
large trace change predicted (3.35451e-07%)
linmin: converged after 15 iterations.
iteration 707: trace = 2.412630668371055 (3.35456e-07% change)
linmin: converged after 26 iterations.
iteration 708: trace = 2.412630660066947 (3.44193e-07% change)
linmin: converged after 21 iterations.
iteration 709: trace = 2.412630655300423 (1.97565e-07% change)
large trace change predicted (9.85635e-07%)
linmin: converged after 5 iterations.
iteration 710: trace = 2.412630631521224 (9.85613e-07% change)
linmin: converged after 3 iterations.
iteration 711: trace = 2.412630608200811 (9.66597e-07% change)
linmin: converged after 4 iterations.
iteration 712: trace = 2.412630595400104 (5.30571e-07% change)
linmin: converged after 5 iterations.
iteration 713: trace = 2.412630583487556 (4.93758e-07% change)
linmin: converged after 21 iterations.
iteration 714: trace = 2.412630570397255 (5.42574e-07% change)
linmin: converged after 2 iterations.
iteration 715: trace = 2.412630561316741 (3.76374e-07% change)
linmin: converged after 3 iterations.
iteration 716: trace = 2.412630551927635 (3.89165e-07% change)
linmin: converged after 10 iterations.
iteration 717: trace = 2.412630549969792 (8.11497e-08% change)
large trace change predicted (2.62939e-07%)
linmin: converged after 3 iterations.
iteration 718: trace = 2.412630543625931 (2.62944e-07% change)
linmin: converged after 7 iterations.
iteration 719: trace = 2.41263053932054 (1.78452e-07% change)
linmin: converged after 4 iterations.
iteration 720: trace = 2.412630537377462 (8.05377e-08% change)
linmin: converged after 7 iterations.
iteration 721: trace = 2.412630534065912 (1.37259e-07% change)
linmin: converged after 4 iterations.
iteration 722: trace = 2.412630529173448 (2.02785e-07% change)
linmin: converged after 4 iterations.
iteration 723: trace = 2.412630527477726 (7.02852e-08% change)
large trace change predicted (1.68396e-07%)
linmin: converged after 19 iterations.
iteration 724: trace = 2.412630523414882 (1.68399e-07% change)
linmin: converged after 5 iterations.
iteration 725: trace = 2.412630520770119 (1.09622e-07% change)
linmin: converged after 6 iterations.
iteration 726: trace = 2.412630519124897 (6.8192e-08% change)
large trace change predicted (2.48063e-07%)
linmin: converged after 17 iterations.
iteration 727: trace = 2.412630513139425 (2.48089e-07% change)
linmin: converged after 3 iterations.
iteration 728: trace = 2.412630511876392 (5.23509e-08% change)
large trace change predicted (2.20921e-07%)
linmin: converged after 3 iterations.
iteration 729: trace = 2.412630506545948 (2.20939e-07% change)
linmin: converged after 3 iterations.
iteration 730: trace = 2.412630500855044 (2.3588e-07% change)
linmin: converged after 9 iterations.
iteration 731: trace = 2.412630493746356 (2.94645e-07% change)
linmin: converged after 3 iterations.
iteration 732: trace = 2.412630490600628 (1.30386e-07% change)
large trace change predicted (3.55075e-07%)
linmin: converged after 15 iterations.
iteration 733: trace = 2.412630482033123 (3.55111e-07% change)
linmin: converged after 6 iterations.
iteration 734: trace = 2.412630467997332 (5.81763e-07% change)
linmin: converged after 13 iterations.
iteration 735: trace = 2.412630461475286 (2.70329e-07% change)
large trace change predicted (8.04978e-07%)
linmin: converged after 5 iterations.
iteration 736: trace = 2.412630442046265 (8.05304e-07% change)
linmin: converged after 6 iterations.
iteration 737: trace = 2.412630438149124 (1.61531e-07% change)
linmin: converged after 28 iterations.
iteration 738: trace = 2.412630434604044 (1.46938e-07% change)
large trace change predicted (3.61263e-07%)
linmin: converged after 5 iterations.
iteration 739: trace = 2.412630425887123 (3.61304e-07% change)
linmin: converged after 22 iterations.
iteration 740: trace = 2.412630424476987 (5.84481e-08% change)
large trace change predicted (1.66958e-07%)
linmin: converged after 23 iterations.
iteration 741: trace = 2.412630420448752 (1.66964e-07% change)
linmin: converged after 23 iterations.
iteration 742: trace = 2.412630416581729 (1.60282e-07% change)
linmin: converged after 3 iterations.
iteration 743: trace = 2.412630415566934 (4.20618e-08% change)
large trace change predicted (9.5054e-08%)
linmin: converged after 26 iterations.
iteration 744: trace = 2.412630413273622 (9.50544e-08% change)
linmin: converged after 8 iterations.
iteration 745: trace = 2.412630409750568 (1.46025e-07% change)
linmin: converged after 4 iterations.
iteration 746: trace = 2.412630408899045 (3.52944e-08% change)
large trace change predicted (1.74437e-07%)
linmin: converged after 2 iterations.
iteration 747: trace = 2.412630404690509 (1.74438e-07% change)
linmin: converged after 3 iterations.
iteration 748: trace = 2.412630402828781 (7.71659e-08% change)
linmin: converged after 5 iterations.
iteration 749: trace = 2.41263040125073 (6.54079e-08% change)
linmin: converged after 2 iterations.
iteration 750: trace = 2.412630398787035 (1.02117e-07% change)
linmin: converged after 8 iterations.
iteration 751: trace = 2.412630396692446 (8.68176e-08% change)
linmin: converged after 4 iterations.
iteration 752: trace = 2.412630393831708 (1.18573e-07% change)
linmin: converged after 6 iterations.
iteration 753: trace = 2.412630388799679 (2.0857e-07% change)
linmin: converged after 4 iterations.
iteration 754: trace = 2.412630386543187 (9.35283e-08% change)
large trace change predicted (2.19226e-07%)
linmin: converged after 5 iterations.
iteration 755: trace = 2.412630381254233 (2.19219e-07% change)
linmin: converged after 4 iterations.
iteration 756: trace = 2.412630372666863 (3.55934e-07% change)
linmin: converged after 7 iterations.
iteration 757: trace = 2.412630369953678 (1.12458e-07% change)
large trace change predicted (5.4323e-07%)
linmin: converged after 4 iterations.
iteration 758: trace = 2.412630356847925 (5.43214e-07% change)
linmin: converged after 4 iterations.
iteration 759: trace = 2.412630345477035 (4.71307e-07% change)
linmin: converged after 4 iterations.
iteration 760: trace = 2.412630343402828 (8.59728e-08% change)
large trace change predicted (3.18989e-07%)
linmin: converged after 3 iterations.
iteration 761: trace = 2.412630335707014 (3.1898e-07% change)
linmin: converged after 3 iterations.
iteration 762: trace = 2.412630333198186 (1.03987e-07% change)
linmin: converged after 19 iterations.
iteration 763: trace = 2.412630331974383 (5.07248e-08% change)
large trace change predicted (1.87012e-07%)
linmin: converged after 3 iterations.
iteration 764: trace = 2.41263032746255 (1.87009e-07% change)
linmin: converged after 4 iterations.
iteration 765: trace = 2.412630326563659 (3.72577e-08% change)
large trace change predicted (9.19309e-08%)
linmin: converged after 10 iterations.
iteration 766: trace = 2.412630324345699 (9.19312e-08% change)
linmin: converged after 4 iterations.
iteration 767: trace = 2.412630322187022 (8.9474e-08% change)
linmin: converged after 10 iterations.
iteration 768: trace = 2.412630321514101 (2.78916e-08% change)
large trace change predicted (7.72777e-08%)
linmin: converged after 7 iterations.
iteration 769: trace = 2.412630319649701 (7.72767e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 770: trace = 2.412630317868127 (7.38436e-08% change)
linmin: converged after 3 iterations.
iteration 771: trace = 2.412630317237427 (2.61416e-08% change)
large trace change predicted (8.7879e-08%)
linmin: converged after 26 iterations.
iteration 772: trace = 2.412630315117234 (8.78789e-08% change)
linmin: converged after 4 iterations.
iteration 773: trace = 2.412630313020271 (8.69161e-08% change)
linmin: converged after 5 iterations.
iteration 774: trace = 2.412630312173231 (3.51085e-08% change)
large trace change predicted (1.58423e-07%)
linmin: converged after 2 iterations.
iteration 775: trace = 2.412630308351077 (1.58423e-07% change)
linmin: converged after 3 iterations.
iteration 776: trace = 2.412630306755297 (6.61427e-08% change)
linmin: converged after 6 iterations.
iteration 777: trace = 2.412630305150861 (6.65015e-08% change)
large trace change predicted (3.1318e-07%)
linmin: converged after 9 iterations.
iteration 778: trace = 2.412630297594885 (3.13184e-07% change)
linmin: converged after 11 iterations.
iteration 779: trace = 2.412630296100234 (6.19511e-08% change)
large trace change predicted (3.95827e-07%)
linmin: converged after 3 iterations.
iteration 780: trace = 2.412630286550218 (3.95834e-07% change)
linmin: converged after 7 iterations.
iteration 781: trace = 2.412630279542905 (2.90443e-07% change)
linmin: converged after 3 iterations.
iteration 782: trace = 2.412630275350564 (1.73766e-07% change)
linmin: converged after 3 iterations.
iteration 783: trace = 2.412630269668914 (2.35496e-07% change)
linmin: converged after 19 iterations.
iteration 784: trace = 2.412630262832058 (2.83378e-07% change)
linmin: converged after 4 iterations.
iteration 785: trace = 2.412630261446174 (5.74428e-08% change)
large trace change predicted (1.87201e-07%)
linmin: converged after 9 iterations.
iteration 786: trace = 2.412630256929665 (1.87203e-07% change)
linmin: converged after 9 iterations.
iteration 787: trace = 2.412630254537486 (9.91523e-08% change)
linmin: converged after 3 iterations.
iteration 788: trace = 2.412630253518343 (4.2242e-08% change)
linmin: converged after 19 iterations.
iteration 789: trace = 2.412630251920914 (6.62111e-08% change)
linmin: converged after 8 iterations.
iteration 790: trace = 2.41263024910309 (1.16795e-07% change)
linmin: converged after 4 iterations.
iteration 791: trace = 2.412630248726472 (1.56103e-08% change)
large trace change predicted (1.09238e-07%)
linmin: converged after 9 iterations.
iteration 792: trace = 2.412630246091002 (1.09236e-07% change)
linmin: converged after 3 iterations.
iteration 793: trace = 2.412630244922155 (4.8447e-08% change)
linmin: converged after 18 iterations.
iteration 794: trace = 2.412630244232069 (2.8603e-08% change)
large trace change predicted (1.34397e-07%)
linmin: converged after 3 iterations.
iteration 795: trace = 2.412630240989678 (1.34392e-07% change)
linmin: converged after 4 iterations.
iteration 796: trace = 2.412630240262083 (3.01578e-08% change)
large trace change predicted (1.1302e-07%)
linmin: converged after 3 iterations.
iteration 797: trace = 2.412630237535456 (1.13015e-07% change)
linmin: converged after 5 iterations.
iteration 798: trace = 2.412630234820691 (1.12523e-07% change)
linmin: converged after 3 iterations.
iteration 799: trace = 2.41263023377728 (4.32478e-08% change)
large trace change predicted (1.02522e-07%)
linmin: converged after 10 iterations.
iteration 800: trace = 2.41263023130382 (1.02521e-07% change)
large trace change predicted (2.76893e-07%)
linmin: converged after 5 iterations.
iteration 801: trace = 2.412630224624287 (2.76857e-07% change)
linmin: converged after 17 iterations.
iteration 802: trace = 2.412630222255615 (9.8178e-08% change)
large trace change predicted (4.92994e-07%)
linmin: converged after 4 iterations.
iteration 803: trace = 2.412630210364647 (4.92863e-07% change)
linmin: converged after 3 iterations.
iteration 804: trace = 2.412630200433205 (4.11644e-07% change)
linmin: converged after 28 iterations.
iteration 805: trace = 2.412630195941604 (1.8617e-07% change)
linmin: converged after 4 iterations.
iteration 806: trace = 2.412630193608453 (9.67057e-08% change)
large trace change predicted (2.60639e-07%)
linmin: converged after 5 iterations.
iteration 807: trace = 2.412630187320838 (2.60612e-07% change)
linmin: converged after 4 iterations.
iteration 808: trace = 2.412630183176117 (1.71793e-07% change)
linmin: converged after 4 iterations.
iteration 809: trace = 2.412630182068422 (4.59124e-08% change)
large trace change predicted (1.43362e-07%)
linmin: converged after 10 iterations.
iteration 810: trace = 2.412630178609815 (1.43354e-07% change)
linmin: converged after 21 iterations.
iteration 811: trace = 2.412630177234165 (5.70187e-08% change)
linmin: converged after 18 iterations.
iteration 812: trace = 2.412630176226698 (4.17581e-08% change)
large trace change predicted (1.13102e-07%)
linmin: converged after 4 iterations.
iteration 813: trace = 2.412630173498098 (1.13096e-07% change)
linmin: converged after 11 iterations.
iteration 814: trace = 2.412630172429498 (4.42919e-08% change)
large trace change predicted (9.31313e-08%)
linmin: converged after 6 iterations.
iteration 815: trace = 2.412630170182694 (9.31268e-08% change)
linmin: converged after 7 iterations.
iteration 816: trace = 2.412630168425175 (7.28466e-08% change)
linmin: converged after 7 iterations.
iteration 817: trace = 2.412630167335922 (4.5148e-08% change)
linmin: converged after 34 iterations.
iteration 818: trace = 2.4126301655405 (7.44176e-08% change)
linmin: converged after 4 iterations.
iteration 819: trace = 2.412630162508688 (1.25664e-07% change)
linmin: converged after 6 iterations.
iteration 820: trace = 2.412630161403833 (4.57946e-08% change)
large trace change predicted (1.57552e-07%)
linmin: converged after 3 iterations.
iteration 821: trace = 2.412630157602701 (1.57551e-07% change)
linmin: converged after 3 iterations.
iteration 822: trace = 2.412630155205343 (9.9367e-08% change)
linmin: converged after 13 iterations.
iteration 823: trace = 2.412630152160419 (1.26208e-07% change)
linmin: converged after 10 iterations.
iteration 824: trace = 2.412630146434432 (2.37334e-07% change)
linmin: converged after 7 iterations.
iteration 825: trace = 2.412630140606383 (2.41564e-07% change)
linmin: converged after 3 iterations.
iteration 826: trace = 2.412630136110739 (1.86338e-07% change)
large trace change predicted (6.51358e-07%)
linmin: converged after 22 iterations.
iteration 827: trace = 2.412630120394821 (6.51402e-07% change)
linmin: converged after 13 iterations.
iteration 828: trace = 2.412630118507895 (7.82103e-08% change)
large trace change predicted (2.9953e-07%)
linmin: converged after 19 iterations.
iteration 829: trace = 2.412630111281268 (2.99533e-07% change)
linmin: converged after 24 iterations.
iteration 830: trace = 2.412630105783522 (2.27874e-07% change)
linmin: converged after 16 iterations.
iteration 831: trace = 2.412630103763826 (8.37134e-08% change)
linmin: converged after 3 iterations.
iteration 832: trace = 2.412630100578352 (1.32033e-07% change)
linmin: converged after 3 iterations.
iteration 833: trace = 2.412630097388273 (1.32224e-07% change)
linmin: converged after 3 iterations.
iteration 834: trace = 2.412630096662051 (3.01008e-08% change)
large trace change predicted (1.06026e-07%)
linmin: converged after 3 iterations.
iteration 835: trace = 2.412630094104007 (1.06027e-07% change)
linmin: converged after 4 iterations.
iteration 836: trace = 2.412630093020168 (4.49236e-08% change)
linmin: converged after 4 iterations.
iteration 837: trace = 2.412630091649397 (5.68165e-08% change)
linmin: converged after 3 iterations.
iteration 838: trace = 2.412630090038643 (6.67634e-08% change)
large trace change predicted (1.85395e-07%)
linmin: converged after 5 iterations.
iteration 839: trace = 2.412630085565559 (1.85403e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 840: trace = 2.41263008151028 (1.68085e-07% change)
linmin: converged after 2 iterations.
iteration 841: trace = 2.412630079878606 (6.76305e-08% change)
linmin: converged after 4 iterations.
iteration 842: trace = 2.412630078477312 (5.80816e-08% change)
linmin: converged after 9 iterations.
iteration 843: trace = 2.412630077511205 (4.00437e-08% change)
large trace change predicted (1.0145e-07%)
linmin: converged after 4 iterations.
iteration 844: trace = 2.412630075063618 (1.01449e-07% change)
linmin: converged after 13 iterations.
iteration 845: trace = 2.412630074286727 (3.2201e-08% change)
large trace change predicted (8.56865e-08%)
linmin: converged after 3 iterations.
iteration 846: trace = 2.412630072219485 (8.56842e-08% change)
linmin: converged after 7 iterations.
iteration 847: trace = 2.412630069692656 (1.04733e-07% change)
linmin: converged after 3 iterations.
iteration 848: trace = 2.412630068370095 (5.48183e-08% change)
large trace change predicted (1.5323e-07%)
linmin: converged after 4 iterations.
iteration 849: trace = 2.412630064673256 (1.53229e-07% change)
large trace change predicted (3.21858e-07%)
linmin: converged after 7 iterations.
iteration 850: trace = 2.412630056908164 (3.21852e-07% change)
linmin: converged after 4 iterations.
iteration 851: trace = 2.41263005546774 (5.97035e-08% change)
large trace change predicted (4.3889e-07%)
linmin: converged after 11 iterations.
iteration 852: trace = 2.412630044879021 (4.38887e-07% change)
linmin: converged after 10 iterations.
iteration 853: trace = 2.412630040042149 (2.00481e-07% change)
linmin: converged after 8 iterations.
iteration 854: trace = 2.412630037298545 (1.13718e-07% change)
linmin: converged after 7 iterations.
iteration 855: trace = 2.412630032813382 (1.85903e-07% change)
linmin: converged after 4 iterations.
iteration 856: trace = 2.412630029399109 (1.41517e-07% change)
linmin: converged after 2 iterations.
iteration 857: trace = 2.412630028212164 (4.91971e-08% change)
linmin: converged after 18 iterations.
iteration 858: trace = 2.412630026220737 (8.25417e-08% change)
linmin: converged after 16 iterations.
iteration 859: trace = 2.412630024819416 (5.80827e-08% change)
linmin: converged after 14 iterations.
iteration 860: trace = 2.412630024026551 (3.28631e-08% change)
linmin: converged after 3 iterations.
iteration 861: trace = 2.412630022553406 (6.10597e-08% change)
linmin: converged after 3 iterations.
iteration 862: trace = 2.41263002171375 (3.48025e-08% change)
linmin: converged after 9 iterations.
iteration 863: trace = 2.412630020152418 (6.4715e-08% change)
linmin: converged after 16 iterations.
iteration 864: trace = 2.412630019147033 (4.16717e-08% change)
linmin: converged after 6 iterations.
iteration 865: trace = 2.41263001848697 (2.73587e-08% change)
linmin: converged after 3 iterations.
iteration 866: trace = 2.41263001729565 (4.93785e-08% change)
linmin: converged after 26 iterations.
iteration 867: trace = 2.412630015476 (7.54219e-08% change)
linmin: converged after 3 iterations.
iteration 868: trace = 2.412630014722096 (3.12482e-08% change)
large trace change predicted (7.86228e-08%)
linmin: converged after 23 iterations.
iteration 869: trace = 2.412630012825134 (7.86263e-08% change)
linmin: converged after 6 iterations.
iteration 870: trace = 2.412630011092031 (7.18346e-08% change)
linmin: converged after 3 iterations.
iteration 871: trace = 2.412630010196684 (3.71108e-08% change)
large trace change predicted (9.56084e-08%)
linmin: converged after 21 iterations.
iteration 872: trace = 2.412630007889925 (9.56118e-08% change)
linmin: converged after 14 iterations.
iteration 873: trace = 2.412630004057833 (1.58835e-07% change)
linmin: converged after 5 iterations.
iteration 874: trace = 2.412630000345374 (1.53876e-07% change)
linmin: converged after 3 iterations.
iteration 875: trace = 2.412629996960273 (1.40308e-07% change)
linmin: converged after 4 iterations.
iteration 876: trace = 2.41262999182819 (2.12717e-07% change)
linmin: converged after 3 iterations.
iteration 877: trace = 2.41262998997961 (7.6621e-08% change)
linmin: converged after 7 iterations.
iteration 878: trace = 2.412629987744847 (9.26277e-08% change)
linmin: converged after 5 iterations.
iteration 879: trace = 2.41262998472488 (1.25173e-07% change)
linmin: converged after 4 iterations.
iteration 880: trace = 2.41262998388736 (3.4714e-08% change)
large trace change predicted (7.91859e-08%)
linmin: converged after 4 iterations.
iteration 881: trace = 2.412629981976823 (7.9189e-08% change)
linmin: converged after 2 iterations.
iteration 882: trace = 2.412629981234265 (3.07779e-08% change)
linmin: converged after 4 iterations.
iteration 883: trace = 2.41262998053784 (2.88658e-08% change)
linmin: converged after 4 iterations.
iteration 884: trace = 2.412629979558923 (4.05747e-08% change)
linmin: converged after 3 iterations.
iteration 885: trace = 2.412629978925704 (2.6246e-08% change)
linmin: converged after 20 iterations.
iteration 886: trace = 2.412629978009389 (3.79799e-08% change)
linmin: converged after 2 iterations.
iteration 887: trace = 2.412629976503111 (6.2433e-08% change)
linmin: converged after 6 iterations.
iteration 888: trace = 2.412629976306796 (8.13697e-09% change)
large trace change predicted (3.06396e-08%)
linmin: converged after 4 iterations.
iteration 889: trace = 2.412629975567579 (3.06395e-08% change)
linmin: converged after 4 iterations.
iteration 890: trace = 2.412629974494204 (4.44898e-08% change)
linmin: converged after 7 iterations.
iteration 891: trace = 2.412629974274471 (9.10762e-09% change)
large trace change predicted (7.08135e-08%)
linmin: converged after 3 iterations.
iteration 892: trace = 2.41262997256604 (7.0812e-08% change)
linmin: converged after 13 iterations.
iteration 893: trace = 2.412629971667166 (3.7257e-08% change)
linmin: converged after 9 iterations.
iteration 894: trace = 2.412629970211166 (6.03491e-08% change)
linmin: converged after 3 iterations.
iteration 895: trace = 2.4126299675696 (1.09489e-07% change)
linmin: converged after 4 iterations.
iteration 896: trace = 2.412629966679517 (3.68926e-08% change)
large trace change predicted (9.2062e-08%)
linmin: converged after 16 iterations.
iteration 897: trace = 2.412629964458456 (9.20598e-08% change)
linmin: converged after 4 iterations.
iteration 898: trace = 2.412629960107839 (1.80327e-07% change)
linmin: converged after 4 iterations.
iteration 899: trace = 2.412629956681058 (1.42035e-07% change)
linmin: converged after 17 iterations.
iteration 900: trace = 2.412629955568261 (4.61238e-08% change)
large trace change predicted (1.24164e-07%)
linmin: converged after 3 iterations.
iteration 901: trace = 2.412629952572671 (1.24163e-07% change)
linmin: converged after 7 iterations.
iteration 902: trace = 2.41262995211164 (1.91091e-08% change)
linmin: converged after 4 iterations.
iteration 903: trace = 2.412629951351644 (3.15007e-08% change)
linmin: converged after 4 iterations.
iteration 904: trace = 2.412629949860268 (6.18154e-08% change)
linmin: converged after 4 iterations.
iteration 905: trace = 2.412629949640863 (9.094e-09% change)
large trace change predicted (4.08356e-08%)
linmin: converged after 4 iterations.
iteration 906: trace = 2.412629948655661 (4.08352e-08% change)
linmin: converged after 3 iterations.
iteration 907: trace = 2.412629948000308 (2.71634e-08% change)
linmin: converged after 3 iterations.
iteration 908: trace = 2.412629947791989 (8.63451e-09% change)
large trace change predicted (2.62099e-08%)
linmin: converged after 3 iterations.
iteration 909: trace = 2.412629947159648 (2.62096e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 910: trace = 2.412629946603579 (2.30482e-08% change)
linmin: converged after 18 iterations.
iteration 911: trace = 2.412629946430211 (7.18585e-09% change)
large trace change predicted (2.97514e-08%)
linmin: converged after 4 iterations.
iteration 912: trace = 2.412629945712421 (2.97514e-08% change)
linmin: converged after 4 iterations.
iteration 913: trace = 2.412629945037566 (2.79718e-08% change)
linmin: converged after 4 iterations.
iteration 914: trace = 2.412629944635202 (1.66774e-08% change)
large trace change predicted (5.89224e-08%)
linmin: converged after 29 iterations.
iteration 915: trace = 2.412629943213624 (5.89224e-08% change)
linmin: converged after 28 iterations.
iteration 916: trace = 2.412629942673241 (2.23981e-08% change)
linmin: converged after 37 iterations.
iteration 917: trace = 2.412629942084224 (2.44139e-08% change)
large trace change predicted (1.08341e-07%)
linmin: converged after 3 iterations.
iteration 918: trace = 2.412629939470376 (1.0834e-07% change)
linmin: converged after 12 iterations.
iteration 919: trace = 2.412629939024025 (1.85006e-08% change)
large trace change predicted (1.45008e-07%)
linmin: converged after 36 iterations.
iteration 920: trace = 2.412629935525507 (1.45008e-07% change)
linmin: converged after 35 iterations.
iteration 921: trace = 2.412629933133675 (9.9138e-08% change)
linmin: converged after 33 iterations.
iteration 922: trace = 2.412629931939856 (4.94821e-08% change)
linmin: converged after 6 iterations.
iteration 923: trace = 2.412629929684806 (9.34685e-08% change)
linmin: converged after 3 iterations.
iteration 924: trace = 2.412629927522294 (8.9633e-08% change)
linmin: converged after 3 iterations.
iteration 925: trace = 2.412629926960233 (2.32966e-08% change)
large trace change predicted (6.17147e-08%)
linmin: converged after 4 iterations.
iteration 926: trace = 2.412629925471272 (6.17153e-08% change)
linmin: converged after 3 iterations.
iteration 927: trace = 2.412629924752712 (2.97833e-08% change)
linmin: converged after 18 iterations.
iteration 928: trace = 2.412629924340847 (1.70712e-08% change)
linmin: converged after 25 iterations.
iteration 929: trace = 2.412629923690569 (2.69531e-08% change)
linmin: converged after 3 iterations.
iteration 930: trace = 2.412629922606678 (4.49257e-08% change)
linmin: converged after 4 iterations.
iteration 931: trace = 2.412629922381308 (9.34124e-09% change)
large trace change predicted (2.78896e-08%)
linmin: converged after 3 iterations.
iteration 932: trace = 2.412629921708441 (2.78894e-08% change)
linmin: converged after 2 iterations.
iteration 933: trace = 2.41262992104805 (2.73722e-08% change)
linmin: converged after 3 iterations.
iteration 934: trace = 2.412629920845703 (8.38699e-09% change)
large trace change predicted (4.79543e-08%)
linmin: converged after 4 iterations.
iteration 935: trace = 2.412629919688754 (4.79538e-08% change)
linmin: converged after 4 iterations.
iteration 936: trace = 2.412629919114845 (2.37877e-08% change)
linmin: converged after 2 iterations.
iteration 937: trace = 2.412629918511692 (2.49998e-08% change)
large trace change predicted (5.65366e-08%)
linmin: converged after 5 iterations.
iteration 938: trace = 2.412629917147718 (5.65348e-08% change)
linmin: converged after 2 iterations.
iteration 939: trace = 2.412629916739739 (1.69101e-08% change)
large trace change predicted (3.49757e-08%)
linmin: converged after 6 iterations.
iteration 940: trace = 2.412629915895912 (3.49754e-08% change)
large trace change predicted (1.03946e-07%)
linmin: converged after 25 iterations.
iteration 941: trace = 2.412629913388183 (1.03942e-07% change)
linmin: converged after 14 iterations.
iteration 942: trace = 2.412629911739267 (6.83452e-08% change)
large trace change predicted (1.3842e-07%)
linmin: converged after 14 iterations.
iteration 943: trace = 2.412629908400014 (1.38407e-07% change)
linmin: converged after 4 iterations.
iteration 944: trace = 2.412629905801034 (1.07724e-07% change)
linmin: converged after 3 iterations.
iteration 945: trace = 2.412629904539625 (5.22836e-08% change)
linmin: converged after 6 iterations.
iteration 946: trace = 2.412629902658073 (7.79876e-08% change)
linmin: converged after 5 iterations.
iteration 947: trace = 2.412629900580813 (8.60994e-08% change)
linmin: converged after 4 iterations.
iteration 948: trace = 2.412629899923036 (2.72639e-08% change)
linmin: converged after 17 iterations.
iteration 949: trace = 2.412629898704476 (5.05076e-08% change)
linmin: converged after 3 iterations.
iteration 950: trace = 2.412629897638364 (4.41888e-08% change)
linmin: converged after 10 iterations.
iteration 951: trace = 2.412629897314533 (1.34223e-08% change)
linmin: converged after 3 iterations.
iteration 952: trace = 2.412629896768283 (2.26413e-08% change)
linmin: converged after 3 iterations.
iteration 953: trace = 2.412629895711747 (4.37919e-08% change)
linmin: converged after 6 iterations.
iteration 954: trace = 2.412629895548865 (6.75123e-09% change)
large trace change predicted (4.65758e-08%)
linmin: converged after 9 iterations.
iteration 955: trace = 2.412629894425191 (4.65747e-08% change)
linmin: converged after 3 iterations.
iteration 956: trace = 2.412629893390733 (4.28768e-08% change)
linmin: converged after 24 iterations.
iteration 957: trace = 2.412629893120608 (1.11963e-08% change)
linmin: converged after 3 iterations.
iteration 958: trace = 2.41262989263121 (2.02848e-08% change)
large trace change predicted (4.44366e-08%)
linmin: converged after 27 iterations.
iteration 959: trace = 2.412629891559116 (4.44368e-08% change)
linmin: converged after 4 iterations.
iteration 960: trace = 2.412629891263049 (1.22716e-08% change)
large trace change predicted (4.97846e-08%)
linmin: converged after 4 iterations.
iteration 961: trace = 2.41262989006193 (4.97846e-08% change)
linmin: converged after 28 iterations.
iteration 962: trace = 2.412629888406727 (6.86058e-08% change)
linmin: converged after 3 iterations.
iteration 963: trace = 2.412629887741038 (2.75918e-08% change)
large trace change predicted (9.7619e-08%)
linmin: converged after 6 iterations.
iteration 964: trace = 2.412629885385868 (9.76184e-08% change)
linmin: converged after 9 iterations.
iteration 965: trace = 2.412629883467717 (7.95046e-08% change)
linmin: converged after 16 iterations.
iteration 966: trace = 2.412629881976846 (6.17944e-08% change)
large trace change predicted (2.09176e-07%)
linmin: converged after 23 iterations.
iteration 967: trace = 2.412629876930009 (2.09184e-07% change)
linmin: converged after 5 iterations.
iteration 968: trace = 2.412629875543301 (5.7477e-08% change)
linmin: converged after 23 iterations.
iteration 969: trace = 2.412629873599101 (8.05842e-08% change)
linmin: converged after 2 iterations.
iteration 970: trace = 2.412629872166236 (5.93902e-08% change)
linmin: converged after 6 iterations.
iteration 971: trace = 2.412629871567043 (2.48357e-08% change)
linmin: converged after 3 iterations.
iteration 972: trace = 2.412629870410906 (4.79202e-08% change)
linmin: converged after 3 iterations.
iteration 973: trace = 2.412629869348892 (4.40189e-08% change)
linmin: converged after 4 iterations.
iteration 974: trace = 2.412629869132651 (8.96287e-09% change)
large trace change predicted (3.83009e-08%)
linmin: converged after 3 iterations.
iteration 975: trace = 2.412629868208587 (3.83011e-08% change)
linmin: converged after 17 iterations.
iteration 976: trace = 2.412629867508941 (2.89993e-08% change)
linmin: converged after 4 iterations.
iteration 977: trace = 2.41262986714653 (1.50214e-08% change)
large trace change predicted (3.0632e-08%)
linmin: converged after 3 iterations.
iteration 978: trace = 2.412629866407475 (3.06327e-08% change)
large trace change predicted (1.408e-07%)
linmin: converged after 7 iterations.
iteration 979: trace = 2.412629863010455 (1.40802e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 980: trace = 2.412629860052295 (1.22611e-07% change)
linmin: converged after 3 iterations.
iteration 981: trace = 2.412629859344464 (2.93386e-08% change)
linmin: converged after 2 iterations.
iteration 982: trace = 2.412629858880917 (1.92134e-08% change)
linmin: converged after 2 iterations.
iteration 983: trace = 2.412629858276113 (2.50682e-08% change)
linmin: converged after 4 iterations.
iteration 984: trace = 2.412629857509056 (3.17934e-08% change)
linmin: converged after 4 iterations.
iteration 985: trace = 2.412629857240155 (1.11455e-08% change)
linmin: converged after 3 iterations.
iteration 986: trace = 2.41262985674862 (2.03734e-08% change)
linmin: converged after 3 iterations.
iteration 987: trace = 2.412629855932325 (3.38342e-08% change)
linmin: converged after 4 iterations.
iteration 988: trace = 2.412629855594522 (1.40014e-08% change)
large trace change predicted (5.93685e-08%)
linmin: converged after 35 iterations.
iteration 989: trace = 2.412629854162197 (5.93678e-08% change)
linmin: converged after 20 iterations.
iteration 990: trace = 2.41262985235914 (7.47341e-08% change)
linmin: converged after 16 iterations.
iteration 991: trace = 2.412629851534124 (3.41957e-08% change)
large trace change predicted (1.23989e-07%)
linmin: converged after 5 iterations.
iteration 992: trace = 2.412629848542833 (1.23985e-07% change)
linmin: converged after 13 iterations.
iteration 993: trace = 2.412629847636045 (3.7585e-08% change)
linmin: converged after 16 iterations.
iteration 994: trace = 2.412629846375563 (5.22451e-08% change)
linmin: converged after 4 iterations.
iteration 995: trace = 2.412629843948068 (1.00616e-07% change)
linmin: converged after 4 iterations.
iteration 996: trace = 2.412629843607194 (1.41287e-08% change)
large trace change predicted (6.7988e-08%)
linmin: converged after 4 iterations.
iteration 997: trace = 2.412629841966889 (6.79883e-08% change)
linmin: converged after 6 iterations.
iteration 998: trace = 2.412629841440538 (2.18165e-08% change)
linmin: converged after 4 iterations.
iteration 999: trace = 2.412629841193702 (1.0231e-08% change)
large trace change predicted (3.12016e-08%)
linmin: converged after 6 iterations.
iteration 1000: trace = 2.412629840440918 (3.12018e-08% change)
linmin: converged after 4 iterations.
iteration 1001: trace = 2.412629839886335 (2.29866e-08% change)
linmin: converged after 4 iterations.
iteration 1002: trace = 2.412629839727234 (6.59449e-09% change)
large trace change predicted (3.22075e-08%)
linmin: converged after 4 iterations.
iteration 1003: trace = 2.412629838950178 (3.22079e-08% change)
linmin: converged after 4 iterations.
iteration 1004: trace = 2.412629838660329 (1.20138e-08% change)
linmin: converged after 14 iterations.
iteration 1005: trace = 2.412629838191677 (1.94249e-08% change)
linmin: converged after 16 iterations.
iteration 1006: trace = 2.412629838007164 (7.64779e-09% change)
large trace change predicted (3.11401e-08%)
linmin: converged after 3 iterations.
iteration 1007: trace = 2.412629837255847 (3.1141e-08% change)
linmin: converged after 5 iterations.
iteration 1008: trace = 2.412629837124343 (5.45064e-09% change)
large trace change predicted (1.66649e-08%)
linmin: converged after 3 iterations.
iteration 1009: trace = 2.41262983672228 (1.66649e-08% change)
linmin: converged after 13 iterations.
iteration 1010: trace = 2.412629836093977 (2.60422e-08% change)
linmin: converged after 4 iterations.
iteration 1011: trace = 2.412629835782059 (1.29286e-08% change)
large trace change predicted (3.07177e-08%)
linmin: converged after 19 iterations.
iteration 1012: trace = 2.412629835040941 (3.07182e-08% change)
linmin: converged after 5 iterations.
iteration 1013: trace = 2.412629833664326 (5.70587e-08% change)
linmin: converged after 31 iterations.
iteration 1014: trace = 2.412629833299759 (1.51108e-08% change)
large trace change predicted (8.95773e-08%)
linmin: converged after 4 iterations.
iteration 1015: trace = 2.412629831138368 (8.95865e-08% change)
linmin: converged after 8 iterations.
iteration 1016: trace = 2.412629830159918 (4.05553e-08% change)
linmin: converged after 4 iterations.
iteration 1017: trace = 2.412629829514783 (2.67399e-08% change)
large trace change predicted (6.01776e-08%)
linmin: converged after 5 iterations.
iteration 1018: trace = 2.412629828062851 (6.01804e-08% change)
linmin: converged after 24 iterations.
iteration 1019: trace = 2.412629826752136 (5.43272e-08% change)
linmin: converged after 19 iterations.
iteration 1020: trace = 2.412629826615537 (5.66184e-09% change)
large trace change predicted (2.52403e-08%)
linmin: converged after 8 iterations.
iteration 1021: trace = 2.41262982600657 (2.52408e-08% change)
linmin: converged after 10 iterations.
iteration 1022: trace = 2.412629825573912 (1.79331e-08% change)
linmin: converged after 4 iterations.
iteration 1023: trace = 2.41262982544609 (5.29803e-09% change)
large trace change predicted (1.68311e-08%)
linmin: converged after 4 iterations.
iteration 1024: trace = 2.412629825040014 (1.68313e-08% change)
linmin: converged after 4 iterations.
iteration 1025: trace = 2.412629824620993 (1.73678e-08% change)
linmin: converged after 6 iterations.
iteration 1026: trace = 2.412629824476852 (5.97444e-09% change)
large trace change predicted (2.18839e-08%)
linmin: converged after 3 iterations.
iteration 1027: trace = 2.412629823948873 (2.18839e-08% change)
linmin: converged after 22 iterations.
iteration 1028: trace = 2.412629823857702 (3.77891e-09% change)
linmin: converged after 4 iterations.
iteration 1029: trace = 2.412629823697462 (6.64174e-09% change)
large trace change predicted (1.82985e-08%)
linmin: converged after 3 iterations.
iteration 1030: trace = 2.41262982325599 (1.82984e-08% change)
linmin: converged after 36 iterations.
iteration 1031: trace = 2.412629823126512 (5.36668e-09% change)
large trace change predicted (2.03961e-08%)
linmin: converged after 3 iterations.
iteration 1032: trace = 2.412629822634432 (2.0396e-08% change)
linmin: converged after 21 iterations.
iteration 1033: trace = 2.412629822112127 (2.16488e-08% change)
linmin: converged after 3 iterations.
iteration 1034: trace = 2.412629821927908 (7.6356e-09% change)
large trace change predicted (3.34563e-08%)
linmin: converged after 8 iterations.
iteration 1035: trace = 2.412629821120743 (3.34558e-08% change)
linmin: converged after 3 iterations.
iteration 1036: trace = 2.412629820436516 (2.83602e-08% change)
linmin: converged after 31 iterations.
iteration 1037: trace = 2.412629820024577 (1.70743e-08% change)
large trace change predicted (5.44343e-08%)
linmin: converged after 5 iterations.
iteration 1038: trace = 2.412629818711304 (5.44333e-08% change)
linmin: converged after 6 iterations.
iteration 1039: trace = 2.412629817677978 (4.28299e-08% change)
linmin: converged after 7 iterations.
iteration 1040: trace = 2.412629817059748 (2.56247e-08% change)
linmin: converged after 5 iterations.
iteration 1041: trace = 2.41262981609746 (3.98855e-08% change)
linmin: converged after 9 iterations.
iteration 1042: trace = 2.41262981570948 (1.60812e-08% change)
linmin: converged after 16 iterations.
iteration 1043: trace = 2.41262981556652 (5.92548e-09% change)
large trace change predicted (2.34513e-08%)
linmin: converged after 4 iterations.
iteration 1044: trace = 2.412629815000735 (2.3451e-08% change)
linmin: converged after 2 iterations.
iteration 1045: trace = 2.412629814832913 (6.95597e-09% change)
linmin: converged after 5 iterations.
iteration 1046: trace = 2.412629814571759 (1.08245e-08% change)
linmin: converged after 35 iterations.
iteration 1047: trace = 2.412629814351824 (9.11599e-09% change)
linmin: converged after 23 iterations.
iteration 1048: trace = 2.412629814280324 (2.96358e-09% change)
linmin: converged after 4 iterations.
iteration 1049: trace = 2.412629814141311 (5.76188e-09% change)
resetting CG direction...
linmin: converged after 12 iterations.
iteration 1050: trace = 2.412629814011531 (5.37916e-09% change)
linmin: converged after 25 iterations.
iteration 1051: trace = 2.41262981394684 (2.68138e-09% change)
large trace change predicted (9.09106e-09%)
linmin: converged after 3 iterations.
iteration 1052: trace = 2.412629813727504 (9.09116e-09% change)
linmin: converged after 11 iterations.
iteration 1053: trace = 2.412629813474037 (1.05058e-08% change)
linmin: converged after 12 iterations.
iteration 1054: trace = 2.412629813323608 (6.23508e-09% change)
large trace change predicted (2.13059e-08%)
linmin: converged after 29 iterations.
iteration 1055: trace = 2.412629812809573 (2.1306e-08% change)
linmin: converged after 4 iterations.
iteration 1056: trace = 2.412629812661426 (6.14049e-09% change)
large trace change predicted (1.23601e-08%)
linmin: converged after 4 iterations.
iteration 1057: trace = 2.412629812363224 (1.236e-08% change)
large trace change predicted (3.90357e-08%)
linmin: converged after 3 iterations.
iteration 1058: trace = 2.41262981142143 (3.9036e-08% change)
linmin: converged after 25 iterations.
iteration 1059: trace = 2.412629810946882 (1.96693e-08% change)
linmin: converged after 19 iterations.
iteration 1060: trace = 2.412629810006206 (3.89896e-08% change)
linmin: converged after 4 iterations.
iteration 1061: trace = 2.412629809000206 (4.16972e-08% change)
linmin: converged after 4 iterations.
iteration 1062: trace = 2.412629808616698 (1.58959e-08% change)
linmin: converged after 26 iterations.
iteration 1063: trace = 2.4126298080259 (2.44877e-08% change)
linmin: converged after 2 iterations.
iteration 1064: trace = 2.412629807396376 (2.60929e-08% change)
linmin: converged after 3 iterations.
iteration 1065: trace = 2.41262980725605 (5.81631e-09% change)
large trace change predicted (1.77826e-08%)
linmin: converged after 4 iterations.
iteration 1066: trace = 2.412629806827022 (1.77826e-08% change)
linmin: converged after 23 iterations.
iteration 1067: trace = 2.41262980650895 (1.31836e-08% change)
linmin: converged after 4 iterations.
iteration 1068: trace = 2.41262980638918 (4.96427e-09% change)
linmin: converged after 26 iterations.
iteration 1069: trace = 2.412629806245564 (5.95267e-09% change)
linmin: converged after 3 iterations.
iteration 1070: trace = 2.412629806021013 (9.30735e-09% change)
linmin: converged after 3 iterations.
iteration 1071: trace = 2.412629805876823 (5.97643e-09% change)
large trace change predicted (1.46939e-08%)
linmin: converged after 27 iterations.
iteration 1072: trace = 2.412629805522315 (1.46939e-08% change)
linmin: converged after 4 iterations.
iteration 1073: trace = 2.412629805419518 (4.26078e-09% change)
linmin: converged after 4 iterations.
iteration 1074: trace = 2.412629805217475 (8.3744e-09% change)
linmin: converged after 23 iterations.
iteration 1075: trace = 2.412629804859759 (1.48268e-08% change)
linmin: converged after 23 iterations.
iteration 1076: trace = 2.41262980478039 (3.28971e-09% change)
large trace change predicted (1.52698e-08%)
linmin: converged after 4 iterations.
iteration 1077: trace = 2.412629804411993 (1.52695e-08% change)
linmin: converged after 4 iterations.
iteration 1078: trace = 2.412629803835411 (2.38985e-08% change)
linmin: converged after 6 iterations.
iteration 1079: trace = 2.412629803550236 (1.18201e-08% change)
large trace change predicted (2.64073e-08%)
linmin: converged after 8 iterations.
iteration 1080: trace = 2.412629802913144 (2.64065e-08% change)
linmin: converged after 4 iterations.
iteration 1081: trace = 2.412629802405484 (2.10418e-08% change)
linmin: converged after 20 iterations.
iteration 1082: trace = 2.412629802054365 (1.45534e-08% change)
large trace change predicted (4.85807e-08%)
linmin: converged after 23 iterations.
iteration 1083: trace = 2.412629800882364 (4.85777e-08% change)
linmin: converged after 5 iterations.
iteration 1084: trace = 2.412629799571856 (5.43187e-08% change)
linmin: converged after 3 iterations.
iteration 1085: trace = 2.412629799288416 (1.17482e-08% change)
large trace change predicted (2.53772e-08%)
linmin: converged after 4 iterations.
iteration 1086: trace = 2.41262979867617 (2.53767e-08% change)
linmin: converged after 6 iterations.
iteration 1087: trace = 2.412629798155509 (2.15807e-08% change)
linmin: converged after 3 iterations.
iteration 1088: trace = 2.412629797977812 (7.36526e-09% change)
large trace change predicted (1.71152e-08%)
linmin: converged after 3 iterations.
iteration 1089: trace = 2.412629797564891 (1.7115e-08% change)
linmin: converged after 3 iterations.
iteration 1090: trace = 2.412629797236036 (1.36306e-08% change)
linmin: converged after 5 iterations.
iteration 1091: trace = 2.412629797146127 (3.72658e-09% change)
large trace change predicted (1.66429e-08%)
linmin: converged after 8 iterations.
iteration 1092: trace = 2.412629796744604 (1.66426e-08% change)
linmin: converged after 16 iterations.
iteration 1093: trace = 2.412629796597781 (6.08562e-09% change)
linmin: converged after 9 iterations.
iteration 1094: trace = 2.412629796528624 (2.86644e-09% change)
large trace change predicted (1.32146e-08%)
linmin: converged after 4 iterations.
iteration 1095: trace = 2.412629796209809 (1.32144e-08% change)
linmin: converged after 13 iterations.
iteration 1096: trace = 2.412629796050501 (6.60307e-09% change)
large trace change predicted (1.37413e-08%)
linmin: converged after 3 iterations.
iteration 1097: trace = 2.412629795718977 (1.37412e-08% change)
linmin: converged after 3 iterations.
iteration 1098: trace = 2.412629795455784 (1.0909e-08% change)
linmin: converged after 5 iterations.
iteration 1099: trace = 2.412629795325347 (5.40642e-09% change)
large trace change predicted (1.40822e-08%)
linmin: converged after 3 iterations.
iteration 1100: trace = 2.412629794985595 (1.40822e-08% change)
linmin: converged after 4 iterations.
iteration 1101: trace = 2.412629794618395 (1.52199e-08% change)
linmin: converged after 4 iterations.
iteration 1102: trace = 2.412629794427571 (7.90941e-09% change)
large trace change predicted (3.37841e-08%)
linmin: converged after 3 iterations.
iteration 1103: trace = 2.412629793612483 (3.37842e-08% change)
linmin: converged after 8 iterations.
iteration 1104: trace = 2.412629792683634 (3.84995e-08% change)
linmin: converged after 4 iterations.
iteration 1105: trace = 2.412629792271863 (1.70673e-08% change)
linmin: converged after 4 iterations.
iteration 1106: trace = 2.412629791561477 (2.94445e-08% change)
linmin: converged after 16 iterations.
iteration 1107: trace = 2.412629790214044 (5.58491e-08% change)
linmin: converged after 7 iterations.
iteration 1108: trace = 2.412629789960863 (1.0494e-08% change)
large trace change predicted (3.90288e-08%)
linmin: converged after 16 iterations.
iteration 1109: trace = 2.412629789019225 (3.90295e-08% change)
linmin: converged after 4 iterations.
iteration 1110: trace = 2.412629788842335 (7.33182e-09% change)
large trace change predicted (2.1421e-08%)
linmin: converged after 9 iterations.
iteration 1111: trace = 2.412629788325511 (2.14216e-08% change)
linmin: converged after 3 iterations.
iteration 1112: trace = 2.412629788037764 (1.19267e-08% change)
linmin: converged after 3 iterations.
iteration 1113: trace = 2.412629787803015 (9.73003e-09% change)
linmin: converged after 23 iterations.
iteration 1114: trace = 2.412629787699538 (4.28898e-09% change)
large trace change predicted (1.3443e-08%)
linmin: converged after 3 iterations.
iteration 1115: trace = 2.412629787375206 (1.34431e-08% change)
linmin: converged after 21 iterations.
iteration 1116: trace = 2.412629787276294 (4.09974e-09% change)
large trace change predicted (1.2001e-08%)
linmin: converged after 24 iterations.
iteration 1117: trace = 2.412629786986755 (1.2001e-08% change)
linmin: converged after 4 iterations.
iteration 1118: trace = 2.412629786748777 (9.86386e-09% change)
linmin: converged after 3 iterations.
iteration 1119: trace = 2.412629786292433 (1.89148e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1120: trace = 2.412629785848988 (1.83802e-08% change)
linmin: converged after 3 iterations.
iteration 1121: trace = 2.412629785623657 (9.33966e-09% change)
linmin: converged after 10 iterations.
iteration 1122: trace = 2.412629785396949 (9.39672e-09% change)
linmin: converged after 3 iterations.
iteration 1123: trace = 2.412629785252847 (5.9728e-09% change)
linmin: converged after 3 iterations.
iteration 1124: trace = 2.412629784965543 (1.19083e-08% change)
linmin: converged after 6 iterations.
iteration 1125: trace = 2.412629784894571 (2.94171e-09% change)
large trace change predicted (8.94799e-09%)
linmin: converged after 3 iterations.
iteration 1126: trace = 2.412629784678686 (8.9481e-09% change)
linmin: converged after 3 iterations.
iteration 1127: trace = 2.412629784418998 (1.07637e-08% change)
linmin: converged after 41 iterations.
iteration 1128: trace = 2.412629784294783 (5.14854e-09% change)
large trace change predicted (2.05222e-08%)
linmin: converged after 7 iterations.
iteration 1129: trace = 2.412629783799666 (2.05219e-08% change)
linmin: converged after 4 iterations.
iteration 1130: trace = 2.412629783217858 (2.41151e-08% change)
linmin: converged after 5 iterations.
iteration 1131: trace = 2.412629782905474 (1.29479e-08% change)
large trace change predicted (3.93323e-08%)
linmin: converged after 15 iterations.
iteration 1132: trace = 2.412629781956552 (3.93314e-08% change)
linmin: converged after 10 iterations.
iteration 1133: trace = 2.4126297814223 (2.2144e-08% change)
linmin: converged after 4 iterations.
iteration 1134: trace = 2.412629781139761 (1.17108e-08% change)
large trace change predicted (3.70881e-08%)
linmin: converged after 34 iterations.
iteration 1135: trace = 2.412629780244971 (3.70877e-08% change)
linmin: converged after 4 iterations.
iteration 1136: trace = 2.412629779825604 (1.73822e-08% change)
linmin: converged after 4 iterations.
iteration 1137: trace = 2.412629779584773 (9.98207e-09% change)
linmin: converged after 2 iterations.
iteration 1138: trace = 2.412629779380671 (8.45973e-09% change)
linmin: converged after 4 iterations.
iteration 1139: trace = 2.412629779150927 (9.52255e-09% change)
linmin: converged after 4 iterations.
iteration 1140: trace = 2.412629779034004 (4.8463e-09% change)
linmin: converged after 13 iterations.
iteration 1141: trace = 2.412629778809317 (9.31293e-09% change)
linmin: converged after 3 iterations.
iteration 1142: trace = 2.412629778738212 (2.94723e-09% change)
large trace change predicted (9.6957e-09%)
linmin: converged after 3 iterations.
iteration 1143: trace = 2.41262977850429 (9.69572e-09% change)
linmin: converged after 4 iterations.
iteration 1144: trace = 2.412629778404162 (4.15014e-09% change)
linmin: converged after 3 iterations.
iteration 1145: trace = 2.412629778242337 (6.70742e-09% change)
linmin: converged after 14 iterations.
iteration 1146: trace = 2.412629778178061 (2.66417e-09% change)
large trace change predicted (1.13094e-08%)
linmin: converged after 25 iterations.
iteration 1147: trace = 2.4126297779052 (1.13097e-08% change)
linmin: converged after 3 iterations.
iteration 1148: trace = 2.412629777850719 (2.25815e-09% change)
large trace change predicted (5.19724e-09%)
linmin: converged after 4 iterations.
iteration 1149: trace = 2.412629777725329 (5.19723e-09% change)
linmin: converged after 15 iterations.
iteration 1150: trace = 2.412629777488554 (9.81398e-09% change)
linmin: converged after 4 iterations.
iteration 1151: trace = 2.412629777262293 (9.37822e-09% change)
linmin: converged after 13 iterations.
iteration 1152: trace = 2.412629777117201 (6.01385e-09% change)
large trace change predicted (1.93871e-08%)
linmin: converged after 6 iterations.
iteration 1153: trace = 2.412629776649447 (1.93877e-08% change)
linmin: converged after 28 iterations.
iteration 1154: trace = 2.412629776527586 (5.05097e-09% change)
large trace change predicted (3.11949e-08%)
linmin: converged after 25 iterations.
iteration 1155: trace = 2.412629775774925 (3.11967e-08% change)
linmin: converged after 4 iterations.
iteration 1156: trace = 2.412629775365852 (1.69555e-08% change)
linmin: converged after 4 iterations.
iteration 1157: trace = 2.412629774918892 (1.85259e-08% change)
linmin: converged after 4 iterations.
iteration 1158: trace = 2.412629774657288 (1.08431e-08% change)
linmin: converged after 3 iterations.
iteration 1159: trace = 2.412629774194538 (1.91803e-08% change)
linmin: converged after 23 iterations.
iteration 1160: trace = 2.412629774146317 (1.99871e-09% change)
large trace change predicted (8.86743e-09%)
linmin: converged after 12 iterations.
iteration 1161: trace = 2.412629773932376 (8.86752e-09% change)
linmin: converged after 33 iterations.
iteration 1162: trace = 2.412629773774357 (6.54969e-09% change)
linmin: converged after 3 iterations.
iteration 1163: trace = 2.412629773728515 (1.90007e-09% change)
large trace change predicted (5.67544e-09%)
linmin: converged after 4 iterations.
iteration 1164: trace = 2.41262977359159 (5.67535e-09% change)
linmin: converged after 5 iterations.
iteration 1165: trace = 2.412629773436491 (6.42861e-09% change)
linmin: converged after 7 iterations.
iteration 1166: trace = 2.412629773390932 (1.88836e-09% change)
large trace change predicted (7.66799e-09%)
linmin: converged after 3 iterations.
iteration 1167: trace = 2.412629773205932 (7.668e-09% change)
linmin: converged after 19 iterations.
iteration 1168: trace = 2.412629773149117 (2.3549e-09% change)
linmin: converged after 4 iterations.
iteration 1169: trace = 2.412629773119786 (1.2157e-09% change)
large trace change predicted (6.37928e-09%)
linmin: converged after 4 iterations.
iteration 1170: trace = 2.412629772965878 (6.37926e-09% change)
linmin: converged after 26 iterations.
iteration 1171: trace = 2.412629772928143 (1.56407e-09% change)
large trace change predicted (7.14913e-09%)
linmin: converged after 19 iterations.
iteration 1172: trace = 2.412629772755665 (7.14898e-09% change)
linmin: converged after 5 iterations.
iteration 1173: trace = 2.412629772634329 (5.02918e-09% change)
linmin: converged after 5 iterations.
iteration 1174: trace = 2.412629772553549 (3.34822e-09% change)
large trace change predicted (8.31988e-09%)
linmin: converged after 6 iterations.
iteration 1175: trace = 2.412629772352822 (8.31984e-09% change)
linmin: converged after 4 iterations.
iteration 1176: trace = 2.412629772014664 (1.40162e-08% change)
linmin: converged after 26 iterations.
iteration 1177: trace = 2.412629771917082 (4.04465e-09% change)
large trace change predicted (2.20423e-08%)
linmin: converged after 4 iterations.
iteration 1178: trace = 2.412629771385287 (2.20421e-08% change)
linmin: converged after 26 iterations.
iteration 1179: trace = 2.412629771082309 (1.2558e-08% change)
linmin: converged after 2 iterations.
iteration 1180: trace = 2.412629770824299 (1.06941e-08% change)
linmin: converged after 3 iterations.
iteration 1181: trace = 2.412629770583826 (9.96722e-09% change)
linmin: converged after 2 iterations.
iteration 1182: trace = 2.412629770466926 (4.84536e-09% change)
linmin: converged after 7 iterations.
iteration 1183: trace = 2.412629770326081 (5.83781e-09% change)
linmin: converged after 18 iterations.
iteration 1184: trace = 2.412629770093298 (9.64852e-09% change)
linmin: converged after 4 iterations.
iteration 1185: trace = 2.412629770026122 (2.78435e-09% change)
linmin: converged after 3 iterations.
iteration 1186: trace = 2.412629769941639 (3.50168e-09% change)
linmin: converged after 4 iterations.
iteration 1187: trace = 2.412629769861093 (3.33854e-09% change)
linmin: converged after 3 iterations.
iteration 1188: trace = 2.412629769830064 (1.28607e-09% change)
linmin: converged after 2 iterations.
iteration 1189: trace = 2.412629769788242 (1.73347e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1190: trace = 2.412629769748404 (1.65126e-09% change)
linmin: converged after 3 iterations.
iteration 1191: trace = 2.412629769719834 (1.18415e-09% change)
large trace change predicted (3.31441e-09%)
linmin: converged after 19 iterations.
iteration 1192: trace = 2.41262976963987 (3.31439e-09% change)
linmin: converged after 2 iterations.
iteration 1193: trace = 2.412629769587001 (2.19137e-09% change)
linmin: converged after 20 iterations.
iteration 1194: trace = 2.412629769497466 (3.71108e-09% change)
linmin: converged after 5 iterations.
iteration 1195: trace = 2.412629769344929 (6.32244e-09% change)
linmin: converged after 19 iterations.
iteration 1196: trace = 2.412629769274844 (2.90493e-09% change)
linmin: converged after 4 iterations.
iteration 1197: trace = 2.412629769167316 (4.45685e-09% change)
large trace change predicted (1.20284e-08%)
linmin: converged after 4 iterations.
iteration 1198: trace = 2.412629768877114 (1.20285e-08% change)
linmin: converged after 6 iterations.
iteration 1199: trace = 2.412629768796037 (3.36054e-09% change)
large trace change predicted (1.92599e-08%)
linmin: converged after 13 iterations.
iteration 1200: trace = 2.412629768331363 (1.926e-08% change)
linmin: converged after 25 iterations.
iteration 1201: trace = 2.41262976801378 (1.31634e-08% change)
linmin: converged after 18 iterations.
iteration 1202: trace = 2.41262976784906 (6.8274e-09% change)
linmin: converged after 3 iterations.
iteration 1203: trace = 2.412629767635065 (8.86977e-09% change)
linmin: converged after 4 iterations.
iteration 1204: trace = 2.412629767491865 (5.93546e-09% change)
linmin: converged after 3 iterations.
iteration 1205: trace = 2.412629767384182 (4.46328e-09% change)
linmin: converged after 4 iterations.
iteration 1206: trace = 2.412629767223459 (6.66173e-09% change)
linmin: converged after 3 iterations.
iteration 1207: trace = 2.412629767172048 (2.13094e-09% change)
large trace change predicted (4.28805e-09%)
linmin: converged after 25 iterations.
iteration 1208: trace = 2.412629767068592 (4.2881e-09% change)
linmin: converged after 6 iterations.
iteration 1209: trace = 2.412629767018007 (2.09665e-09% change)
linmin: converged after 4 iterations.
iteration 1210: trace = 2.412629766926253 (3.80308e-09% change)
linmin: converged after 15 iterations.
iteration 1211: trace = 2.412629766896727 (1.2238e-09% change)
large trace change predicted (5.36684e-09%)
linmin: converged after 24 iterations.
iteration 1212: trace = 2.412629766767248 (5.36674e-09% change)
linmin: converged after 4 iterations.
iteration 1213: trace = 2.412629766734905 (1.34057e-09% change)
large trace change predicted (2.70327e-09%)
linmin: converged after 4 iterations.
iteration 1214: trace = 2.412629766669687 (2.70319e-09% change)
large trace change predicted (5.64749e-09%)
linmin: converged after 9 iterations.
iteration 1215: trace = 2.412629766533433 (5.64754e-09% change)
linmin: converged after 2 iterations.
iteration 1216: trace = 2.412629766508651 (1.02718e-09% change)
large trace change predicted (5.54056e-09%)
linmin: converged after 4 iterations.
iteration 1217: trace = 2.412629766374981 (5.54043e-09% change)
linmin: converged after 4 iterations.
iteration 1218: trace = 2.412629766231579 (5.94381e-09% change)
linmin: converged after 24 iterations.
iteration 1219: trace = 2.412629766176944 (2.26454e-09% change)
large trace change predicted (5.33296e-09%)
linmin: converged after 3 iterations.
iteration 1220: trace = 2.412629766048279 (5.33294e-09% change)
large trace change predicted (1.31523e-08%)
linmin: converged after 3 iterations.
iteration 1221: trace = 2.412629765730969 (1.3152e-08% change)
linmin: converged after 4 iterations.
iteration 1222: trace = 2.412629765492582 (9.8808e-09% change)
linmin: converged after 38 iterations.
iteration 1223: trace = 2.412629765145416 (1.43895e-08% change)
linmin: converged after 4 iterations.
iteration 1224: trace = 2.412629764765214 (1.57588e-08% change)
linmin: converged after 14 iterations.
iteration 1225: trace = 2.412629764609337 (6.4609e-09% change)
linmin: converged after 3 iterations.
iteration 1226: trace = 2.412629764394798 (8.89231e-09% change)
linmin: converged after 9 iterations.
iteration 1227: trace = 2.412629764162322 (9.63578e-09% change)
linmin: converged after 4 iterations.
iteration 1228: trace = 2.412629764020966 (5.85899e-09% change)
linmin: converged after 5 iterations.
iteration 1229: trace = 2.412629763948705 (2.99514e-09% change)
linmin: converged after 19 iterations.
iteration 1230: trace = 2.412629763820925 (5.2963e-09% change)
linmin: converged after 4 iterations.
iteration 1231: trace = 2.412629763746147 (3.09942e-09% change)
linmin: converged after 13 iterations.
iteration 1232: trace = 2.412629763688642 (2.3835e-09% change)
linmin: converged after 6 iterations.
iteration 1233: trace = 2.412629763615511 (3.03117e-09% change)
linmin: converged after 6 iterations.
iteration 1234: trace = 2.412629763533967 (3.3799e-09% change)
linmin: converged after 4 iterations.
iteration 1235: trace = 2.412629763483325 (2.09901e-09% change)
large trace change predicted (6.53479e-09%)
linmin: converged after 3 iterations.
iteration 1236: trace = 2.412629763325664 (6.53484e-09% change)
linmin: converged after 33 iterations.
iteration 1237: trace = 2.412629763303096 (9.35399e-10% change)
large trace change predicted (4.50275e-09%)
linmin: converged after 22 iterations.
iteration 1238: trace = 2.412629763194457 (4.50292e-09% change)
linmin: converged after 7 iterations.
iteration 1239: trace = 2.412629763082278 (4.64968e-09% change)
linmin: converged after 26 iterations.
iteration 1240: trace = 2.412629763036044 (1.9163e-09% change)
large trace change predicted (4.92078e-09%)
linmin: converged after 18 iterations.
iteration 1241: trace = 2.412629762917325 (4.92076e-09% change)
linmin: converged after 4 iterations.
iteration 1242: trace = 2.412629762682696 (9.725e-09% change)
linmin: converged after 10 iterations.
iteration 1243: trace = 2.412629762592304 (3.74664e-09% change)
large trace change predicted (1.75923e-08%)
linmin: converged after 8 iterations.
iteration 1244: trace = 2.412629762167861 (1.75925e-08% change)
linmin: converged after 3 iterations.
iteration 1245: trace = 2.4126297620757 (3.81996e-09% change)
large trace change predicted (9.87021e-09%)
linmin: converged after 4 iterations.
iteration 1246: trace = 2.412629761837568 (9.87023e-09% change)
large trace change predicted (2.09998e-08%)
linmin: converged after 31 iterations.
iteration 1247: trace = 2.412629761330913 (2.10001e-08% change)
linmin: converged after 4 iterations.
iteration 1248: trace = 2.412629761106383 (9.30643e-09% change)
linmin: converged after 4 iterations.
iteration 1249: trace = 2.412629760964092 (5.89778e-09% change)
linmin: converged after 26 iterations.
iteration 1250: trace = 2.412629760743328 (9.15032e-09% change)
linmin: converged after 16 iterations.
iteration 1251: trace = 2.412629760697433 (1.90227e-09% change)
linmin: converged after 32 iterations.
iteration 1252: trace = 2.412629760613019 (3.49887e-09% change)
linmin: converged after 7 iterations.
iteration 1253: trace = 2.41262976052164 (3.78752e-09% change)
linmin: converged after 4 iterations.
iteration 1254: trace = 2.412629760448013 (3.05171e-09% change)
linmin: converged after 5 iterations.
iteration 1255: trace = 2.412629760396692 (2.12719e-09% change)
large trace change predicted (5.52559e-09%)
linmin: converged after 20 iterations.
iteration 1256: trace = 2.412629760263379 (5.52565e-09% change)
linmin: converged after 3 iterations.
iteration 1257: trace = 2.412629760231685 (1.31368e-09% change)
large trace change predicted (7.23674e-09%)
linmin: converged after 20 iterations.
iteration 1258: trace = 2.412629760057085 (7.23691e-09% change)
large trace change predicted (1.10329e-07%)
linmin: converged after 4 iterations.
iteration 1259: trace = 2.412629757394972 (1.10341e-07% change)
resetting CG direction...
linmin: converged after 31 iterations.
iteration 1260: trace = 2.412629756145485 (5.17894e-08% change)
linmin: converged after 3 iterations.
iteration 1261: trace = 2.412629755522189 (2.58347e-08% change)
linmin: converged after 4 iterations.
iteration 1262: trace = 2.412629755420031 (4.23429e-09% change)
linmin: converged after 3 iterations.
iteration 1263: trace = 2.412629755311408 (4.50228e-09% change)
linmin: converged after 31 iterations.
iteration 1264: trace = 2.412629755139941 (7.10707e-09% change)
linmin: converged after 2 iterations.
iteration 1265: trace = 2.412629755127741 (5.05673e-10% change)
large trace change predicted (4.14563e-09%)
linmin: converged after 2 iterations.
iteration 1266: trace = 2.412629755027722 (4.14565e-09% change)
linmin: converged after 28 iterations.
iteration 1267: trace = 2.412629754993594 (1.41453e-09% change)
linmin: converged after 7 iterations.
iteration 1268: trace = 2.412629754977538 (6.655e-10% change)
large trace change predicted (3.01768e-09%)
linmin: converged after 3 iterations.
iteration 1269: trace = 2.412629754904733 (3.01767e-09% change)
linmin: converged after 26 iterations.
iteration 1270: trace = 2.412629754855381 (2.04555e-09% change)
linmin: converged after 8 iterations.
iteration 1271: trace = 2.412629754793346 (2.57125e-09% change)
large trace change predicted (6.44622e-09%)
linmin: converged after 6 iterations.
iteration 1272: trace = 2.412629754637826 (6.4461e-09% change)
linmin: converged after 4 iterations.
iteration 1273: trace = 2.412629754580816 (2.36298e-09% change)
linmin: converged after 4 iterations.
iteration 1274: trace = 2.412629754519073 (2.55914e-09% change)
large trace change predicted (6.61425e-09%)
linmin: converged after 18 iterations.
iteration 1275: trace = 2.412629754359497 (6.61423e-09% change)
linmin: converged after 4 iterations.
iteration 1276: trace = 2.412629754255988 (4.29027e-09% change)
linmin: converged after 3 iterations.
iteration 1277: trace = 2.412629754117463 (5.74165e-09% change)
linmin: converged after 3 iterations.
iteration 1278: trace = 2.412629753994368 (5.10212e-09% change)
linmin: converged after 6 iterations.
iteration 1279: trace = 2.412629753928176 (2.74358e-09% change)
linmin: converged after 3 iterations.
iteration 1280: trace = 2.41262975382433 (4.30426e-09% change)
linmin: converged after 2 iterations.
iteration 1281: trace = 2.412629753688581 (5.62661e-09% change)
linmin: converged after 16 iterations.
iteration 1282: trace = 2.412629753664304 (1.00625e-09% change)
large trace change predicted (3.85085e-09%)
linmin: converged after 15 iterations.
iteration 1283: trace = 2.412629753571395 (3.85093e-09% change)
linmin: converged after 4 iterations.
iteration 1284: trace = 2.41262975351645 (2.27739e-09% change)
linmin: converged after 4 iterations.
iteration 1285: trace = 2.412629753499298 (7.10909e-10% change)
linmin: converged after 15 iterations.
iteration 1286: trace = 2.41262975346662 (1.35449e-09% change)
linmin: converged after 3 iterations.
iteration 1287: trace = 2.412629753416082 (2.0947e-09% change)
linmin: converged after 4 iterations.
iteration 1288: trace = 2.412629753405603 (4.34347e-10% change)
large trace change predicted (1.54026e-09%)
linmin: converged after 18 iterations.
iteration 1289: trace = 2.412629753368441 (1.54032e-09% change)
linmin: converged after 3 iterations.
iteration 1290: trace = 2.412629753361718 (2.78661e-10% change)
large trace change predicted (9.30624e-10%)
linmin: converged after 13 iterations.
iteration 1291: trace = 2.412629753339264 (9.30687e-10% change)
large trace change predicted (2.39756e-09%)
linmin: converged after 5 iterations.
iteration 1292: trace = 2.412629753281419 (2.39758e-09% change)
linmin: converged after 13 iterations.
iteration 1293: trace = 2.412629753266869 (6.03064e-10% change)
large trace change predicted (4.52078e-09%)
linmin: converged after 4 iterations.
iteration 1294: trace = 2.4126297531578 (4.52076e-09% change)
linmin: converged after 6 iterations.
iteration 1295: trace = 2.412629753018132 (5.78903e-09% change)
linmin: converged after 3 iterations.
iteration 1296: trace = 2.412629752936917 (3.36625e-09% change)
linmin: converged after 5 iterations.
iteration 1297: trace = 2.412629752886115 (2.10567e-09% change)
large trace change predicted (5.0815e-09%)
linmin: converged after 30 iterations.
iteration 1298: trace = 2.412629752763515 (5.0816e-09% change)
linmin: converged after 8 iterations.
iteration 1299: trace = 2.412629752690727 (3.01698e-09% change)
linmin: converged after 38 iterations.
iteration 1300: trace = 2.412629752592583 (4.0679e-09% change)
linmin: converged after 18 iterations.
iteration 1301: trace = 2.412629752489281 (4.28173e-09% change)
linmin: converged after 4 iterations.
iteration 1302: trace = 2.412629752471359 (7.42845e-10% change)
large trace change predicted (2.44872e-09%)
linmin: converged after 28 iterations.
iteration 1303: trace = 2.41262975241228 (2.44876e-09% change)
linmin: converged after 4 iterations.
iteration 1304: trace = 2.412629752376628 (1.4777e-09% change)
linmin: converged after 3 iterations.
iteration 1305: trace = 2.412629752357191 (8.0565e-10% change)
large trace change predicted (2.63898e-09%)
linmin: converged after 9 iterations.
iteration 1306: trace = 2.412629752293523 (2.63894e-09% change)
linmin: converged after 23 iterations.
iteration 1307: trace = 2.412629752241498 (2.15634e-09% change)
linmin: converged after 2 iterations.
iteration 1308: trace = 2.412629752229971 (4.77805e-10% change)
large trace change predicted (1.61003e-09%)
linmin: converged after 18 iterations.
iteration 1309: trace = 2.412629752191125 (1.61008e-09% change)
linmin: converged after 2 iterations.
iteration 1310: trace = 2.412629752176672 (5.99069e-10% change)
linmin: converged after 12 iterations.
iteration 1311: trace = 2.412629752167809 (3.67346e-10% change)
linmin: converged after 19 iterations.
iteration 1312: trace = 2.41262975215146 (6.77648e-10% change)
linmin: converged after 5 iterations.
iteration 1313: trace = 2.412629752119543 (1.32294e-09% change)
linmin: converged after 17 iterations.
iteration 1314: trace = 2.412629752104291 (6.32147e-10% change)
large trace change predicted (2.22953e-09%)
linmin: converged after 10 iterations.
iteration 1315: trace = 2.412629752050501 (2.22953e-09% change)
linmin: converged after 4 iterations.
iteration 1316: trace = 2.41262975203415 (6.77704e-10% change)
large trace change predicted (1.73052e-09%)
linmin: converged after 4 iterations.
iteration 1317: trace = 2.412629751992398 (1.73058e-09% change)
large trace change predicted (3.80022e-09%)
linmin: converged after 6 iterations.
iteration 1318: trace = 2.412629751900716 (3.80009e-09% change)
linmin: converged after 4 iterations.
iteration 1319: trace = 2.412629751855262 (1.88398e-09% change)
linmin: converged after 19 iterations.
iteration 1320: trace = 2.412629751800265 (2.27956e-09% change)
large trace change predicted (5.32944e-09%)
linmin: converged after 21 iterations.
iteration 1321: trace = 2.412629751671685 (5.32946e-09% change)
linmin: converged after 8 iterations.
iteration 1322: trace = 2.412629751644616 (1.12197e-09% change)
linmin: converged after 10 iterations.
iteration 1323: trace = 2.412629751601681 (1.77959e-09% change)
linmin: converged after 4 iterations.
iteration 1324: trace = 2.412629751544592 (2.36626e-09% change)
linmin: converged after 12 iterations.
iteration 1325: trace = 2.412629751534512 (4.17799e-10% change)
large trace change predicted (2.02914e-09%)
linmin: converged after 18 iterations.
iteration 1326: trace = 2.412629751485556 (2.02913e-09% change)
linmin: converged after 12 iterations.
iteration 1327: trace = 2.412629751472368 (5.46647e-10% change)
linmin: converged after 4 iterations.
iteration 1328: trace = 2.412629751465104 (3.01062e-10% change)
linmin: converged after 16 iterations.
iteration 1329: trace = 2.412629751451304 (5.71993e-10% change)
resetting CG direction...
linmin: converged after 19 iterations.
iteration 1330: trace = 2.412629751441995 (3.85844e-10% change)
linmin: converged after 4 iterations.
iteration 1331: trace = 2.412629751436322 (2.35148e-10% change)
large trace change predicted (4.92008e-10%)
linmin: converged after 2 iterations.
iteration 1332: trace = 2.41262975142445 (4.92089e-10% change)
linmin: converged after 16 iterations.
iteration 1333: trace = 2.412629751400893 (9.76392e-10% change)
linmin: converged after 10 iterations.
iteration 1334: trace = 2.412629751383613 (7.16247e-10% change)
large trace change predicted (1.82443e-09%)
linmin: converged after 13 iterations.
iteration 1335: trace = 2.412629751339598 (1.82434e-09% change)
linmin: converged after 6 iterations.
iteration 1336: trace = 2.412629751322894 (6.92374e-10% change)
large trace change predicted (2.07471e-09%)
linmin: converged after 13 iterations.
iteration 1337: trace = 2.412629751272838 (2.07475e-09% change)
linmin: converged after 14 iterations.
iteration 1338: trace = 2.412629751200171 (3.01191e-09% change)
linmin: converged after 6 iterations.
iteration 1339: trace = 2.412629751172607 (1.14251e-09% change)
large trace change predicted (3.35386e-09%)
linmin: converged after 11 iterations.
iteration 1340: trace = 2.412629751091689 (3.35393e-09% change)
linmin: converged after 4 iterations.
iteration 1341: trace = 2.412629751009129 (3.42196e-09% change)
linmin: converged after 4 iterations.
iteration 1342: trace = 2.412629750989969 (7.94182e-10% change)
linmin: converged after 4 iterations.
iteration 1343: trace = 2.412629750956418 (1.39062e-09% change)
linmin: converged after 2 iterations.
iteration 1344: trace = 2.412629750895868 (2.50974e-09% change)
linmin: converged after 10 iterations.
iteration 1345: trace = 2.412629750889071 (2.81717e-10% change)
large trace change predicted (1.4371e-09%)
linmin: converged after 4 iterations.
iteration 1346: trace = 2.412629750854401 (1.43702e-09% change)
linmin: converged after 7 iterations.
iteration 1347: trace = 2.412629750839396 (6.21912e-10% change)
linmin: converged after 3 iterations.
iteration 1348: trace = 2.412629750832454 (2.87736e-10% change)
linmin: converged after 4 iterations.
iteration 1349: trace = 2.412629750819 (5.57672e-10% change)
linmin: converged after 5 iterations.
iteration 1350: trace = 2.412629750804569 (5.98131e-10% change)
linmin: converged after 8 iterations.
iteration 1351: trace = 2.412629750799901 (1.93474e-10% change)
large trace change predicted (1.77238e-09%)
linmin: converged after 17 iterations.
iteration 1352: trace = 2.412629750757146 (1.77216e-09% change)
linmin: converged after 12 iterations.
iteration 1353: trace = 2.412629750720045 (1.53778e-09% change)
linmin: converged after 6 iterations.
iteration 1354: trace = 2.412629750702059 (7.45478e-10% change)
linmin: converged after 4 iterations.
iteration 1355: trace = 2.412629750682192 (8.23467e-10% change)
linmin: converged after 4 iterations.
iteration 1356: trace = 2.412629750651361 (1.27788e-09% change)
linmin: converged after 9 iterations.
iteration 1357: trace = 2.412629750630569 (8.61827e-10% change)
large trace change predicted (2.62029e-09%)
linmin: converged after 5 iterations.
iteration 1358: trace = 2.412629750567349 (2.62036e-09% change)
linmin: converged after 4 iterations.
iteration 1359: trace = 2.412629750549673 (7.32648e-10% change)
large trace change predicted (3.17057e-09%)
linmin: converged after 4 iterations.
iteration 1360: trace = 2.412629750473182 (3.17045e-09% change)
linmin: converged after 19 iterations.
iteration 1361: trace = 2.412629750403901 (2.87158e-09% change)
linmin: converged after 21 iterations.
iteration 1362: trace = 2.412629750312024 (3.80818e-09% change)
linmin: converged after 26 iterations.
iteration 1363: trace = 2.412629750243348 (2.84651e-09% change)
linmin: converged after 15 iterations.
iteration 1364: trace = 2.412629750215733 (1.14459e-09% change)
large trace change predicted (2.99681e-09%)
linmin: converged after 4 iterations.
iteration 1365: trace = 2.412629750143431 (2.99682e-09% change)
linmin: converged after 3 iterations.
iteration 1366: trace = 2.412629750113363 (1.24629e-09% change)
linmin: converged after 4 iterations.
iteration 1367: trace = 2.412629750103837 (3.94845e-10% change)
large trace change predicted (1.79753e-09%)
linmin: converged after 23 iterations.
iteration 1368: trace = 2.412629750060469 (1.79754e-09% change)
linmin: converged after 6 iterations.
iteration 1369: trace = 2.412629750048949 (4.77474e-10% change)
linmin: converged after 25 iterations.
iteration 1370: trace = 2.412629750032419 (6.85158e-10% change)
linmin: converged after 15 iterations.
iteration 1371: trace = 2.412629750011623 (8.61956e-10% change)
linmin: converged after 14 iterations.
iteration 1372: trace = 2.412629750004998 (2.74575e-10% change)
large trace change predicted (1.2595e-09%)
linmin: converged after 7 iterations.
iteration 1373: trace = 2.412629749974613 (1.25945e-09% change)
linmin: converged after 2 iterations.
iteration 1374: trace = 2.412629749959753 (6.15893e-10% change)
linmin: converged after 12 iterations.
iteration 1375: trace = 2.412629749952411 (3.04339e-10% change)
large trace change predicted (1.64146e-09%)
linmin: converged after 12 iterations.
iteration 1376: trace = 2.412629749912809 (1.64143e-09% change)
linmin: converged after 17 iterations.
iteration 1377: trace = 2.412629749904083 (3.61695e-10% change)
large trace change predicted (1.53902e-09%)
linmin: converged after 5 iterations.
iteration 1378: trace = 2.412629749866952 (1.539e-09% change)
linmin: converged after 6 iterations.
iteration 1379: trace = 2.412629749838286 (1.1882e-09% change)
large trace change predicted (2.73749e-09%)
linmin: converged after 21 iterations.
iteration 1380: trace = 2.412629749772243 (2.73738e-09% change)
linmin: converged after 5 iterations.
iteration 1381: trace = 2.412629749756631 (6.47075e-10% change)
large trace change predicted (3.6325e-09%)
linmin: converged after 17 iterations.
iteration 1382: trace = 2.41262974966899 (3.63259e-09% change)
linmin: converged after 5 iterations.
iteration 1383: trace = 2.412629749612043 (2.36038e-09% change)
linmin: converged after 4 iterations.
iteration 1384: trace = 2.412629749557288 (2.26951e-09% change)
linmin: converged after 26 iterations.
iteration 1385: trace = 2.412629749493279 (2.65309e-09% change)
linmin: converged after 20 iterations.
iteration 1386: trace = 2.412629749454938 (1.58919e-09% change)
linmin: converged after 10 iterations.
iteration 1387: trace = 2.412629749408137 (1.93982e-09% change)
linmin: converged after 6 iterations.
iteration 1388: trace = 2.412629749327676 (3.33499e-09% change)
linmin: converged after 5 iterations.
iteration 1389: trace = 2.412629749311012 (6.9068e-10% change)
linmin: converged after 7 iterations.
iteration 1390: trace = 2.41262974928682 (1.00273e-09% change)
linmin: converged after 4 iterations.
iteration 1391: trace = 2.412629749274504 (5.10496e-10% change)
linmin: converged after 4 iterations.
iteration 1392: trace = 2.412629749259505 (6.21655e-10% change)
linmin: converged after 18 iterations.
iteration 1393: trace = 2.412629749239148 (8.43807e-10% change)
linmin: converged after 3 iterations.
iteration 1394: trace = 2.412629749215643 (9.7422e-10% change)
linmin: converged after 4 iterations.
iteration 1395: trace = 2.412629749206566 (3.76254e-10% change)
large trace change predicted (2.26574e-09%)
linmin: converged after 2 iterations.
iteration 1396: trace = 2.412629749151904 (2.26564e-09% change)
large trace change predicted (1.16568e-08%)
linmin: converged after 4 iterations.
iteration 1397: trace = 2.412629748870666 (1.16569e-08% change)
linmin: converged after 4 iterations.
iteration 1398: trace = 2.412629748756963 (4.71284e-09% change)
large trace change predicted (3.40752e-08%)
linmin: converged after 4 iterations.
iteration 1399: trace = 2.41262974793485 (3.40754e-08% change)
resetting CG direction...
linmin: converged after 13 iterations.
iteration 1400: trace = 2.412629747609123 (1.35009e-08% change)
linmin: converged after 4 iterations.
iteration 1401: trace = 2.412629747566691 (1.75876e-09% change)
large trace change predicted (6.23889e-09%)
linmin: converged after 3 iterations.
iteration 1402: trace = 2.412629747416172 (6.23876e-09% change)
linmin: converged after 2 iterations.
iteration 1403: trace = 2.412629747346273 (2.89724e-09% change)
linmin: converged after 2 iterations.
iteration 1404: trace = 2.412629747312993 (1.37941e-09% change)
linmin: converged after 6 iterations.
iteration 1405: trace = 2.412629747282349 (1.27013e-09% change)
linmin: converged after 4 iterations.
iteration 1406: trace = 2.412629747241782 (1.68147e-09% change)
linmin: converged after 2 iterations.
iteration 1407: trace = 2.412629747230548 (4.65638e-10% change)
large trace change predicted (1.42629e-09%)
linmin: converged after 3 iterations.
iteration 1408: trace = 2.412629747196136 (1.42631e-09% change)
linmin: converged after 4 iterations.
iteration 1409: trace = 2.412629747184705 (4.73811e-10% change)
linmin: converged after 12 iterations.
iteration 1410: trace = 2.412629747166181 (7.67768e-10% change)
linmin: converged after 7 iterations.
iteration 1411: trace = 2.412629747155916 (4.25474e-10% change)
linmin: converged after 3 iterations.
iteration 1412: trace = 2.412629747150669 (2.17495e-10% change)
linmin: converged after 3 iterations.
iteration 1413: trace = 2.412629747144602 (2.51456e-10% change)
linmin: converged after 8 iterations.
iteration 1414: trace = 2.412629747134135 (4.3385e-10% change)
linmin: converged after 6 iterations.
iteration 1415: trace = 2.412629747130711 (1.41898e-10% change)
large trace change predicted (6.10392e-10%)
linmin: converged after 3 iterations.
iteration 1416: trace = 2.412629747115985 (6.10371e-10% change)
linmin: converged after 14 iterations.
iteration 1417: trace = 2.412629747103849 (5.03022e-10% change)
linmin: converged after 7 iterations.
iteration 1418: trace = 2.412629747096434 (3.07376e-10% change)
large trace change predicted (9.03859e-10%)
linmin: converged after 15 iterations.
iteration 1419: trace = 2.412629747074628 (9.03795e-10% change)
linmin: converged after 4 iterations.
iteration 1420: trace = 2.412629747044051 (1.26739e-09% change)
linmin: converged after 4 iterations.
iteration 1421: trace = 2.412629747036468 (3.14315e-10% change)
large trace change predicted (1.66292e-09%)
linmin: converged after 10 iterations.
iteration 1422: trace = 2.412629746996349 (1.66286e-09% change)
linmin: converged after 4 iterations.
iteration 1423: trace = 2.412629746985881 (4.33905e-10% change)
linmin: converged after 3 iterations.
iteration 1424: trace = 2.412629746969449 (6.81054e-10% change)
linmin: converged after 4 iterations.
iteration 1425: trace = 2.412629746945281 (1.00176e-09% change)
linmin: converged after 3 iterations.
iteration 1426: trace = 2.412629746929147 (6.68721e-10% change)
linmin: converged after 7 iterations.
iteration 1427: trace = 2.412629746926041 (1.28719e-10% change)
linmin: converged after 4 iterations.
iteration 1428: trace = 2.412629746921242 (1.98923e-10% change)
linmin: converged after 7 iterations.
iteration 1429: trace = 2.412629746912748 (3.52049e-10% change)
linmin: converged after 3 iterations.
iteration 1430: trace = 2.412629746905693 (2.9243e-10% change)
linmin: converged after 4 iterations.
iteration 1431: trace = 2.412629746902486 (1.32953e-10% change)
large trace change predicted (4.34248e-10%)
linmin: converged after 11 iterations.
iteration 1432: trace = 2.412629746892007 (4.34328e-10% change)
linmin: converged after 13 iterations.
iteration 1433: trace = 2.412629746890513 (6.19207e-11% change)
Finished solving for bands 1 to 10 after 1433 iterations.
tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431
elapsed time for k point: 12.581516742706299
solve_kpoint (0.333333,0,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.507713985909253 (1.59188% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.485279161564237 (0.898652% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.473300433001331 (0.483152% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.471538512190564 (0.071263% change)
large trace change predicted (0.219371%)
linmin: converged after 3 iterations.
iteration 5: trace = 2.466059289837871 (0.221939% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.464717523270199 (0.0544241% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.46363578384327 (0.0438986% change)
linmin: converged after 3 iterations.
iteration 8: trace = 2.462593076611024 (0.0423329% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.462286932461276 (0.0124326% change)
linmin: converged after 3 iterations.
iteration 10: trace = 2.461752162924051 (0.0217208% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.461484370670815 (0.0108787% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.461340116065417 (0.00586064% change)
large trace change predicted (0.0129832%)
linmin: converged after 3 iterations.
iteration 13: trace = 2.461019984093813 (0.0130073% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.460939639245447 (0.00326475% change)
large trace change predicted (0.0070093%)
linmin: converged after 3 iterations.
iteration 15: trace = 2.460767349107734 (0.00700124% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.460655437132787 (0.00454795% change)
linmin: converged after 4 iterations.
iteration 17: trace = 2.460570973723221 (0.00343262% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.460446786303572 (0.00504723% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.460369613396028 (0.00313659% change)
large trace change predicted (0.00795679%)
linmin: converged after 4 iterations.
iteration 20: trace = 2.460173576143728 (0.00796811% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.459919542489344 (0.0103264% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.459712837233604 (0.00840328% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.459365499297269 (0.0141221% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.459091691742681 (0.0111339% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.458658850278316 (0.0176032% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.45837578815362 (0.0115135% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.458262680161734 (0.00460103% change)
large trace change predicted (0.0113358%)
linmin: converged after 4 iterations.
iteration 28: trace = 2.457986293200407 (0.0112438% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.457774366463829 (0.00862234% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.457671503282361 (0.0041853% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.457500671235163 (0.00695121% change)
linmin: converged after 4 iterations.
iteration 32: trace = 2.457364690361219 (0.00553345% change)
linmin: converged after 4 iterations.
iteration 33: trace = 2.457316173045923 (0.00197438% change)
large trace change predicted (0.0049619%)
linmin: converged after 4 iterations.
iteration 34: trace = 2.457194684027967 (0.00494409% change)
linmin: converged after 4 iterations.
iteration 35: trace = 2.457143235304573 (0.00209382% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.457081169049488 (0.00252598% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.457025704678373 (0.00225735% change)
linmin: converged after 3 iterations.
iteration 38: trace = 2.4569835796467 (0.00171449% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.456938445896089 (0.00183697% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.456868651029056 (0.00284077% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.456832201357737 (0.00148359% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.456762746387228 (0.00282705% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.456633754385877 (0.00525062% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.456571978694712 (0.00251468% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.456460127600202 (0.00455324% change)
large trace change predicted (0.00975227%)
linmin: converged after 4 iterations.
iteration 46: trace = 2.456217913606074 (0.00986077% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.456161011874888 (0.00231667% change)
large trace change predicted (0.0100951%)
linmin: converged after 4 iterations.
iteration 48: trace = 2.455910183905917 (0.0102127% change)
linmin: converged after 3 iterations.
iteration 49: trace = 2.455766265407017 (0.00586026% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.455707449206866 (0.00239505% change)
large trace change predicted (0.00907682%)
linmin: converged after 3 iterations.
iteration 51: trace = 2.455483823273219 (0.00910679% change)
linmin: converged after 3 iterations.
iteration 52: trace = 2.455406692493493 (0.00314121% change)
linmin: converged after 5 iterations.
iteration 53: trace = 2.45534500656597 (0.00251228% change)
large trace change predicted (0.00508812%)
linmin: converged after 3 iterations.
iteration 54: trace = 2.455219784774919 (0.0051001% change)
linmin: converged after 3 iterations.
iteration 55: trace = 2.455179404957257 (0.00164467% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.455132067683953 (0.00192808% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.455082993179066 (0.00199887% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.455065990994846 (0.000692532% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.455039195062922 (0.00109146% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.45500771118878 (0.00128243% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.454994438728737 (0.00054063% change)
large trace change predicted (0.00171818%)
linmin: converged after 3 iterations.
iteration 62: trace = 2.454952189992032 (0.00172094% change)
linmin: converged after 3 iterations.
iteration 63: trace = 2.454876585849618 (0.00307971% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.454854300869789 (0.000907788% change)
large trace change predicted (0.00569488%)
linmin: converged after 4 iterations.
iteration 65: trace = 2.454714694019299 (0.00568713% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.454624975040771 (0.00365503% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.45457530223749 (0.00202366% change)
large trace change predicted (0.0062657%)
linmin: converged after 4 iterations.
iteration 68: trace = 2.454421988937807 (0.00624622% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.454353550269073 (0.00278842% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 2.454327016494556 (0.0010811% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.454277390885514 (0.00202198% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.454243048471604 (0.0013993% change)
linmin: converged after 5 iterations.
iteration 73: trace = 2.454222272437312 (0.000846539% change)
linmin: converged after 9 iterations.
iteration 74: trace = 2.454184860170908 (0.00152442% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.454170636275528 (0.000579579% change)
linmin: converged after 5 iterations.
iteration 76: trace = 2.454152682757256 (0.000731554% change)
linmin: converged after 5 iterations.
iteration 77: trace = 2.454135393107265 (0.000704508% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.454127763230099 (0.000310899% change)
linmin: converged after 6 iterations.
iteration 79: trace = 2.454116641207926 (0.000453198% change)
linmin: converged after 3 iterations.
iteration 80: trace = 2.454100874828616 (0.000642448% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.454095378223422 (0.000223977% change)
large trace change predicted (0.000568781%)
linmin: converged after 3 iterations.
iteration 82: trace = 2.454081421269703 (0.000568723% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.454062352865409 (0.000777011% change)
linmin: converged after 6 iterations.
iteration 84: trace = 2.45405109984487 (0.000458548% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.454030977801129 (0.000819955% change)
linmin: converged after 5 iterations.
iteration 86: trace = 2.454004108702677 (0.0010949% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.453991364569639 (0.000519321% change)
large trace change predicted (0.00138482%)
linmin: converged after 4 iterations.
iteration 88: trace = 2.45395739259282 (0.00138437% change)
linmin: converged after 6 iterations.
iteration 89: trace = 2.453918823166042 (0.00157174% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.45389448882618 (0.000991657% change)
linmin: converged after 4 iterations.
iteration 91: trace = 2.453860285099449 (0.00139386% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.453827450047189 (0.00133811% change)
linmin: converged after 3 iterations.
iteration 93: trace = 2.453820252857478 (0.000293305% change)
large trace change predicted (0.0012793%)
linmin: converged after 4 iterations.
iteration 94: trace = 2.453788863224406 (0.00127922% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.453781946499955 (0.00028188% change)
large trace change predicted (0.000821764%)
linmin: converged after 6 iterations.
iteration 96: trace = 2.453761797235113 (0.000821155% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.453746361645881 (0.00062906% change)
linmin: converged after 3 iterations.
iteration 98: trace = 2.453733612248639 (0.00051959% change)
linmin: converged after 7 iterations.
iteration 99: trace = 2.453727671009575 (0.000242131% change)
large trace change predicted (0.000528031%)
linmin: converged after 4 iterations.
iteration 100: trace = 2.453714712926722 (0.000528099% change)
linmin: converged after 4 iterations.
iteration 101: trace = 2.453708305626924 (0.000261127% change)
linmin: converged after 3 iterations.
iteration 102: trace = 2.453701076402193 (0.000294625% change)
large trace change predicted (0.00065191%)
linmin: converged after 4 iterations.
iteration 103: trace = 2.453685087330305 (0.000651633% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.453674225179957 (0.000442688% change)
large trace change predicted (0.000944268%)
linmin: converged after 3 iterations.
iteration 105: trace = 2.453651066587232 (0.000943838% change)
large trace change predicted (0.00209471%)
linmin: converged after 4 iterations.
iteration 106: trace = 2.453599505384211 (0.00210143% change)
linmin: converged after 5 iterations.
iteration 107: trace = 2.453582835442093 (0.00067941% change)
large trace change predicted (0.00176196%)
linmin: converged after 3 iterations.
iteration 108: trace = 2.453539425951453 (0.00176924% change)
linmin: converged after 3 iterations.
iteration 109: trace = 2.45347778408187 (0.0025124% change)
linmin: converged after 4 iterations.
iteration 110: trace = 2.453464638519382 (0.000535794% change)
large trace change predicted (0.00221849%)
linmin: converged after 3 iterations.
iteration 111: trace = 2.453410122390943 (0.00222203% change)
linmin: converged after 4 iterations.
iteration 112: trace = 2.453385543652673 (0.00100182% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.453376194131596 (0.000381087% change)
large trace change predicted (0.00112562%)
linmin: converged after 10 iterations.
iteration 114: trace = 2.453348578245827 (0.00112563% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.453338345520876 (0.000417093% change)
linmin: converged after 6 iterations.
iteration 116: trace = 2.453328301306341 (0.000409411% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.453315434920004 (0.000524448% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.453301865852209 (0.000553093% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.453295841849039 (0.000245547% change)
large trace change predicted (0.000595206%)
linmin: converged after 4 iterations.
iteration 120: trace = 2.453281236975756 (0.000595318% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.453275432046294 (0.000236619% change)
large trace change predicted (0.000476219%)
linmin: converged after 3 iterations.
iteration 122: trace = 2.453263754904908 (0.000475983% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.453247003676034 (0.000682816% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.453236665069777 (0.000421426% change)
large trace change predicted (0.00103912%)
linmin: converged after 3 iterations.
iteration 125: trace = 2.453211127274053 (0.00104099% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.453161537989081 (0.00202142% change)
linmin: converged after 3 iterations.
iteration 127: trace = 2.453137345994403 (0.000986161% change)
large trace change predicted (0.00307389%)
linmin: converged after 3 iterations.
iteration 128: trace = 2.453061652253304 (0.00308564% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.452970789505381 (0.00370412% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.452952081275762 (0.000762679% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.452919556217591 (0.00132596% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.45289705839666 (0.00091719% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.452890291786226 (0.000275862% change)
large trace change predicted (0.0012815%)
linmin: converged after 3 iterations.
iteration 134: trace = 2.45285884203567 (0.00128216% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.452842142353985 (0.000680828% change)
linmin: converged after 5 iterations.
iteration 136: trace = 2.452828597087275 (0.000552229% change)
linmin: converged after 4 iterations.
iteration 137: trace = 2.452814237817685 (0.000585418% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.452797884596636 (0.000666715% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.452782688814807 (0.00061953% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 140: trace = 2.452772570838299 (0.000412511% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.452765277704286 (0.000297343% change)
linmin: converged after 3 iterations.
iteration 142: trace = 2.452757177275971 (0.000330258% change)
linmin: converged after 3 iterations.
iteration 143: trace = 2.45275054020818 (0.000270597% change)
linmin: converged after 6 iterations.
iteration 144: trace = 2.452740078102712 (0.000426547% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.452727557207261 (0.000510487% change)
linmin: converged after 18 iterations.
iteration 146: trace = 2.452721545794444 (0.000245091% change)
large trace change predicted (0.000699793%)
linmin: converged after 7 iterations.
iteration 147: trace = 2.45270438334119 (0.000699733% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.452683587709759 (0.000847869% change)
linmin: converged after 3 iterations.
iteration 149: trace = 2.45267548035887 (0.000330551% change)
large trace change predicted (0.000951637%)
linmin: converged after 4 iterations.
iteration 150: trace = 2.452652194608251 (0.000949407% change)
linmin: converged after 5 iterations.
iteration 151: trace = 2.452626253195069 (0.00105769% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.452610439822919 (0.000644755% change)
linmin: converged after 4 iterations.
iteration 153: trace = 2.452596637962825 (0.000562743% change)
linmin: converged after 7 iterations.
iteration 154: trace = 2.452581427899597 (0.000620164% change)
linmin: converged after 6 iterations.
iteration 155: trace = 2.452577712274604 (0.000151499% change)
large trace change predicted (0.000381839%)
linmin: converged after 7 iterations.
iteration 156: trace = 2.452568349809934 (0.000381741% change)
linmin: converged after 4 iterations.
iteration 157: trace = 2.452559675257392 (0.000353693% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.45255737876787 (9.36365e-05% change)
large trace change predicted (0.000272619%)
linmin: converged after 4 iterations.
iteration 159: trace = 2.45255069313247 (0.000272599% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.452546275616604 (0.000180119% change)
linmin: converged after 3 iterations.
iteration 161: trace = 2.452544527278531 (7.12867e-05% change)
large trace change predicted (0.000198491%)
linmin: converged after 4 iterations.
iteration 162: trace = 2.452539659430474 (0.000198482% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.452534999193734 (0.000190017% change)
linmin: converged after 5 iterations.
iteration 164: trace = 2.452531349661507 (0.000148807% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.452525840176924 (0.000224645% change)
linmin: converged after 3 iterations.
iteration 166: trace = 2.45251659721641 (0.000376876% change)
linmin: converged after 3 iterations.
iteration 167: trace = 2.452512716096344 (0.000158251% change)
large trace change predicted (0.000782672%)
linmin: converged after 3 iterations.
iteration 168: trace = 2.452493494599059 (0.00078375% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.452486808577861 (0.000272622% change)
large trace change predicted (0.000588015%)
linmin: converged after 3 iterations.
iteration 170: trace = 2.452472378944101 (0.000588369% change)
linmin: converged after 3 iterations.
iteration 171: trace = 2.452455774176158 (0.000677065% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.452448229987636 (0.000307618% change)
linmin: converged after 3 iterations.
iteration 173: trace = 2.452434929310388 (0.000542344% change)
linmin: converged after 3 iterations.
iteration 174: trace = 2.452422235944708 (0.000517583% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.452418708502169 (0.000143835% change)
large trace change predicted (0.000386489%)
linmin: converged after 3 iterations.
iteration 176: trace = 2.452409228696467 (0.00038655% change)
linmin: converged after 3 iterations.
iteration 177: trace = 2.45240024885704 (0.000366165% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.452397991151999 (9.20611e-05% change)
large trace change predicted (0.000271156%)
linmin: converged after 3 iterations.
iteration 179: trace = 2.452391339126951 (0.000271246% change)
linmin: converged after 3 iterations.
iteration 180: trace = 2.452386970176984 (0.000178151% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.452385697130597 (5.19105e-05% change)
large trace change predicted (0.000170125%)
linmin: converged after 3 iterations.
iteration 182: trace = 2.452381525032257 (0.000170124% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.452378255486216 (0.000133321% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.452377028242287 (5.0043e-05% change)
large trace change predicted (0.000164555%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.452372992755737 (0.000164554% change)
linmin: converged after 4 iterations.
iteration 186: trace = 2.452368850383033 (0.000168913% change)
linmin: converged after 3 iterations.
iteration 187: trace = 2.452366912889036 (7.9005e-05% change)
large trace change predicted (0.000417383%)
linmin: converged after 7 iterations.
iteration 188: trace = 2.452356678344031 (0.000417334% change)
linmin: converged after 3 iterations.
iteration 189: trace = 2.452350276352157 (0.000261055% change)
linmin: converged after 4 iterations.
iteration 190: trace = 2.452345971237587 (0.000175551% change)
large trace change predicted (0.000560503%)
linmin: converged after 4 iterations.
iteration 191: trace = 2.452332231135114 (0.000560286% change)
linmin: converged after 4 iterations.
iteration 192: trace = 2.452329110713686 (0.000127243% change)
large trace change predicted (0.00045039%)
linmin: converged after 3 iterations.
iteration 193: trace = 2.452318069706833 (0.000450226% change)
linmin: converged after 5 iterations.
iteration 194: trace = 2.452310488056405 (0.000309163% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.452306394220442 (0.000166938% change)
linmin: converged after 5 iterations.
iteration 196: trace = 2.452300351418192 (0.000246413% change)
linmin: converged after 4 iterations.
iteration 197: trace = 2.452293868489042 (0.000264361% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.452292566759137 (5.30821e-05% change)
large trace change predicted (0.000201454%)
linmin: converged after 3 iterations.
iteration 199: trace = 2.45228762671193 (0.000201446% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.452285322655437 (9.39554e-05% change)
linmin: converged after 3 iterations.
iteration 201: trace = 2.452284130416469 (4.86175e-05% change)
large trace change predicted (0.000116573%)
linmin: converged after 3 iterations.
iteration 202: trace = 2.452281271627409 (0.000116577% change)
linmin: converged after 3 iterations.
iteration 203: trace = 2.452278294145548 (0.000121417% change)
linmin: converged after 4 iterations.
iteration 204: trace = 2.452277204502076 (4.44339e-05% change)
large trace change predicted (0.000108693%)
linmin: converged after 3 iterations.
iteration 205: trace = 2.45227453846246 (0.000108717% change)
linmin: converged after 5 iterations.
iteration 206: trace = 2.452269291426804 (0.000213966% change)
linmin: converged after 3 iterations.
iteration 207: trace = 2.452267662169495 (6.64388e-05% change)
large trace change predicted (0.000296096%)
linmin: converged after 3 iterations.
iteration 208: trace = 2.452260396215607 (0.000296296% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.45225166485298 (0.000356054% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 210: trace = 2.452247439278862 (0.000172314% change)
linmin: converged after 7 iterations.
iteration 211: trace = 2.452239779758671 (0.000312347% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.452237367957184 (9.8351e-05% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.452234809025892 (0.000104351% change)
linmin: converged after 15 iterations.
iteration 214: trace = 2.452231354286834 (0.000140881% change)
linmin: converged after 3 iterations.
iteration 215: trace = 2.452230005968953 (5.49833e-05% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.452227905128951 (8.56706e-05% change)
linmin: converged after 4 iterations.
iteration 217: trace = 2.452225535367658 (9.66371e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.452224453689048 (4.41101e-05% change)
linmin: converged after 4 iterations.
iteration 219: trace = 2.452222322762348 (8.68977e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.452219719417787 (0.000106163% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.452218183218178 (6.26453e-05% change)
linmin: converged after 4 iterations.
iteration 222: trace = 2.452216459608282 (7.02878e-05% change)
large trace change predicted (0.000179911%)
linmin: converged after 5 iterations.
iteration 223: trace = 2.452212045492919 (0.000180005% change)
linmin: converged after 4 iterations.
iteration 224: trace = 2.452210586190468 (5.95097e-05% change)
large trace change predicted (0.000210216%)
linmin: converged after 3 iterations.
iteration 225: trace = 2.452205427108979 (0.000210385% change)
linmin: converged after 4 iterations.
iteration 226: trace = 2.452199607805635 (0.000237309% change)
linmin: converged after 5 iterations.
iteration 227: trace = 2.452195910523776 (0.000150774% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.452193302147046 (0.000106369% change)
large trace change predicted (0.000330405%)
linmin: converged after 4 iterations.
iteration 229: trace = 2.45218519915589 (0.000330439% change)
linmin: converged after 7 iterations.
iteration 230: trace = 2.45218126004048 (0.000160637% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.452177953320755 (0.000134848% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.452171855617065 (0.000248665% change)
linmin: converged after 4 iterations.
iteration 233: trace = 2.452170729833905 (4.59096e-05% change)
large trace change predicted (0.000155844%)
linmin: converged after 3 iterations.
iteration 234: trace = 2.452166905938778 (0.000155939% change)
linmin: converged after 3 iterations.
iteration 235: trace = 2.452164946747112 (7.98964e-05% change)
linmin: converged after 4 iterations.
iteration 236: trace = 2.452163392132787 (6.33976e-05% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.452162131133532 (5.1424e-05% change)
large trace change predicted (0.000129359%)
linmin: converged after 3 iterations.
iteration 238: trace = 2.452158958413194 (0.000129385% change)
linmin: converged after 3 iterations.
iteration 239: trace = 2.452158275174888 (2.78627e-05% change)
large trace change predicted (0.00012237%)
linmin: converged after 3 iterations.
iteration 240: trace = 2.452155274307407 (0.000122377% change)
linmin: converged after 9 iterations.
iteration 241: trace = 2.452152615587393 (0.000108424% change)
linmin: converged after 4 iterations.
iteration 242: trace = 2.452151636431322 (3.99305e-05% change)
large trace change predicted (0.000164569%)
linmin: converged after 12 iterations.
iteration 243: trace = 2.452147601355149 (0.000164553% change)
linmin: converged after 5 iterations.
iteration 244: trace = 2.452144621795718 (0.000121508% change)
linmin: converged after 3 iterations.
iteration 245: trace = 2.452142412523164 (9.00956e-05% change)
large trace change predicted (0.000214265%)
linmin: converged after 3 iterations.
iteration 246: trace = 2.452137160888456 (0.000214165% change)
linmin: converged after 3 iterations.
iteration 247: trace = 2.452129275312435 (0.00032158% change)
linmin: converged after 6 iterations.
iteration 248: trace = 2.452126372462974 (0.000118381% change)
large trace change predicted (0.000459561%)
linmin: converged after 14 iterations.
iteration 249: trace = 2.452115115152491 (0.000459085% change)
linmin: converged after 4 iterations.
iteration 250: trace = 2.452111763758238 (0.000136674% change)
large trace change predicted (0.000297415%)
linmin: converged after 19 iterations.
iteration 251: trace = 2.452104477533321 (0.000297141% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.452100076548783 (0.000179478% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.452096031095323 (0.000164979% change)
linmin: converged after 5 iterations.
iteration 254: trace = 2.452094830732901 (4.89525e-05% change)
large trace change predicted (0.000113346%)
linmin: converged after 3 iterations.
iteration 255: trace = 2.452092051510675 (0.000113341% change)
linmin: converged after 5 iterations.
iteration 256: trace = 2.452090752207555 (5.29875e-05% change)
linmin: converged after 3 iterations.
iteration 257: trace = 2.45208986655014 (3.61185e-05% change)
large trace change predicted (0.000100902%)
linmin: converged after 8 iterations.
iteration 258: trace = 2.452087392480153 (0.000100896% change)
linmin: converged after 22 iterations.
iteration 259: trace = 2.452086383958461 (4.11291e-05% change)
linmin: converged after 5 iterations.
iteration 260: trace = 2.452085152469943 (5.02221e-05% change)
linmin: converged after 4 iterations.
iteration 261: trace = 2.452082753116231 (9.78496e-05% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.452081334342666 (5.786e-05% change)
large trace change predicted (0.000154627%)
linmin: converged after 3 iterations.
iteration 263: trace = 2.452077542649516 (0.000154632% change)
linmin: converged after 4 iterations.
iteration 264: trace = 2.452071671681119 (0.000239429% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.452069632272992 (8.31709e-05% change)
large trace change predicted (0.000180755%)
linmin: converged after 5 iterations.
iteration 266: trace = 2.452065198993772 (0.000180798% change)
linmin: converged after 7 iterations.
iteration 267: trace = 2.452056950140556 (0.000336405% change)
linmin: converged after 4 iterations.
iteration 268: trace = 2.45205409803041 (0.000116315% change)
large trace change predicted (0.000275497%)
linmin: converged after 3 iterations.
iteration 269: trace = 2.452047328173189 (0.00027609% change)
linmin: converged after 3 iterations.
iteration 270: trace = 2.452040138586268 (0.000293208% change)
linmin: converged after 3 iterations.
iteration 271: trace = 2.452038580574617 (6.35394e-05% change)
large trace change predicted (0.0002236%)
linmin: converged after 3 iterations.
iteration 272: trace = 2.452033093357528 (0.000223782% change)
linmin: converged after 3 iterations.
iteration 273: trace = 2.452029212615683 (0.000158266% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.452028342406178 (3.54894e-05% change)
large trace change predicted (9.60583e-05%)
linmin: converged after 3 iterations.
iteration 275: trace = 2.452025986550546 (9.60779e-05% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.452024019452791 (8.02234e-05% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.452023473159935 (2.22793e-05% change)
large trace change predicted (0.000123007%)
linmin: converged after 5 iterations.
iteration 278: trace = 2.452020456805498 (0.000123015% change)
linmin: converged after 4 iterations.
iteration 279: trace = 2.45201452953042 (0.000241731% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 280: trace = 2.452009727461228 (0.000195842% change)
linmin: converged after 4 iterations.
iteration 281: trace = 2.452007540531449 (8.91893e-05% change)
linmin: converged after 5 iterations.
iteration 282: trace = 2.452006657649647 (3.60065e-05% change)
linmin: converged after 3 iterations.
iteration 283: trace = 2.45200532183798 (5.44783e-05% change)
linmin: converged after 3 iterations.
iteration 284: trace = 2.452003115505384 (8.99808e-05% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.45200235583181 (3.09818e-05% change)
large trace change predicted (8.11842e-05%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.452000366439965 (8.11334e-05% change)
linmin: converged after 12 iterations.
iteration 287: trace = 2.451996418703733 (0.000161001% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.451995334938363 (4.41993e-05% change)
large trace change predicted (0.000170194%)
linmin: converged after 5 iterations.
iteration 289: trace = 2.451991166288022 (0.000170011% change)
linmin: converged after 4 iterations.
iteration 290: trace = 2.451986280180539 (0.000199271% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.451984139544748 (8.73021e-05% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.451980067482785 (0.000166072% change)
linmin: converged after 7 iterations.
iteration 293: trace = 2.451974677609453 (0.000219817% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.45197381669557 (3.5111e-05% change)
large trace change predicted (0.000145934%)
linmin: converged after 11 iterations.
iteration 295: trace = 2.451970240797099 (0.000145838% change)
linmin: converged after 4 iterations.
iteration 296: trace = 2.451968866179818 (5.60618e-05% change)
linmin: converged after 4 iterations.
iteration 297: trace = 2.451967957960132 (3.70404e-05% change)
linmin: converged after 3 iterations.
iteration 298: trace = 2.451966311815795 (6.71357e-05% change)
linmin: converged after 16 iterations.
iteration 299: trace = 2.451965168062407 (4.66464e-05% change)
linmin: converged after 3 iterations.
iteration 300: trace = 2.451964505865855 (2.70068e-05% change)
linmin: converged after 3 iterations.
iteration 301: trace = 2.451963500671679 (4.09955e-05% change)
linmin: converged after 3 iterations.
iteration 302: trace = 2.451962964343065 (2.18734e-05% change)
linmin: converged after 3 iterations.
iteration 303: trace = 2.451962083481351 (3.59248e-05% change)
large trace change predicted (7.403e-05%)
linmin: converged after 3 iterations.
iteration 304: trace = 2.451960267768574 (7.40514e-05% change)
linmin: converged after 4 iterations.
iteration 305: trace = 2.451959240259281 (4.19056e-05% change)
linmin: converged after 4 iterations.
iteration 306: trace = 2.45195840324676 (3.41365e-05% change)
large trace change predicted (9.86787e-05%)
linmin: converged after 4 iterations.
iteration 307: trace = 2.451955982741342 (9.87173e-05% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.451953841268762 (8.73374e-05% change)
linmin: converged after 4 iterations.
iteration 309: trace = 2.45195130880107 (0.000103284% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.451947245150415 (0.000165731% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.451945802462522 (5.88385e-05% change)
large trace change predicted (0.000140241%)
linmin: converged after 5 iterations.
iteration 312: trace = 2.451942362711292 (0.000140287% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.451939479922509 (0.000117572% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.451938683602901 (3.24771e-05% change)
large trace change predicted (8.36285e-05%)
linmin: converged after 3 iterations.
iteration 315: trace = 2.451936632622227 (8.36473e-05% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.451935089349582 (6.2941e-05% change)
linmin: converged after 3 iterations.
iteration 317: trace = 2.451934541920565 (2.23264e-05% change)
large trace change predicted (6.49707e-05%)
linmin: converged after 4 iterations.
iteration 318: trace = 2.451932948678755 (6.4979e-05% change)
linmin: converged after 3 iterations.
iteration 319: trace = 2.45193165637232 (5.27056e-05% change)
linmin: converged after 13 iterations.
iteration 320: trace = 2.45193107924358 (2.35377e-05% change)
linmin: converged after 4 iterations.
iteration 321: trace = 2.451930344007868 (2.9986e-05% change)
linmin: converged after 3 iterations.
iteration 322: trace = 2.451929427592482 (3.73753e-05% change)
linmin: converged after 2 iterations.
iteration 323: trace = 2.451929215890909 (8.63408e-06% change)
large trace change predicted (3.87992e-05%)
linmin: converged after 4 iterations.
iteration 324: trace = 2.451928264644343 (3.87958e-05% change)
linmin: converged after 3 iterations.
iteration 325: trace = 2.451927466356714 (3.25575e-05% change)
linmin: converged after 4 iterations.
iteration 326: trace = 2.451927088765477 (1.53998e-05% change)
large trace change predicted (5.28495e-05%)
linmin: converged after 3 iterations.
iteration 327: trace = 2.451925793408558 (5.28302e-05% change)
linmin: converged after 4 iterations.
iteration 328: trace = 2.451924386804797 (5.73673e-05% change)
linmin: converged after 3 iterations.
iteration 329: trace = 2.451922993346532 (5.68312e-05% change)
linmin: converged after 4 iterations.
iteration 330: trace = 2.451921069340289 (7.84693e-05% change)
linmin: converged after 3 iterations.
iteration 331: trace = 2.451918495340491 (0.000104979% change)
linmin: converged after 3 iterations.
iteration 332: trace = 2.451917611962545 (3.6028e-05% change)
large trace change predicted (9.67494e-05%)
linmin: converged after 3 iterations.
iteration 333: trace = 2.451915239937596 (9.67417e-05% change)
linmin: converged after 7 iterations.
iteration 334: trace = 2.451914264872701 (3.97675e-05% change)
linmin: converged after 4 iterations.
iteration 335: trace = 2.451913114917563 (4.69003e-05% change)
linmin: converged after 4 iterations.
iteration 336: trace = 2.451911892528864 (4.98545e-05% change)
linmin: converged after 3 iterations.
iteration 337: trace = 2.451911121514247 (3.14455e-05% change)
linmin: converged after 4 iterations.
iteration 338: trace = 2.451910440461843 (2.77764e-05% change)
linmin: converged after 18 iterations.
iteration 339: trace = 2.451909413734949 (4.18746e-05% change)
linmin: converged after 8 iterations.
iteration 340: trace = 2.451909198007312 (8.79835e-06% change)
large trace change predicted (2.18808e-05%)
linmin: converged after 3 iterations.
iteration 341: trace = 2.451908661399456 (2.18853e-05% change)
linmin: converged after 5 iterations.
iteration 342: trace = 2.451907853174074 (3.29631e-05% change)
linmin: converged after 4 iterations.
iteration 343: trace = 2.451907641293393 (8.64146e-06% change)
large trace change predicted (2.56596e-05%)
linmin: converged after 3 iterations.
iteration 344: trace = 2.451907012099088 (2.56614e-05% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.451906446585409 (2.30642e-05% change)
linmin: converged after 4 iterations.
iteration 346: trace = 2.45190615307573 (1.19707e-05% change)
large trace change predicted (5.65781e-05%)
linmin: converged after 4 iterations.
iteration 347: trace = 2.451904765395973 (5.6596e-05% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.451903258390157 (6.14627e-05% change)
linmin: converged after 3 iterations.
iteration 349: trace = 2.451902302053553 (3.90039e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.451901444021173 (3.49946e-05% change)
linmin: converged after 3 iterations.
iteration 351: trace = 2.451900268699934 (4.79351e-05% change)
linmin: converged after 3 iterations.
iteration 352: trace = 2.451899284761674 (4.01296e-05% change)
linmin: converged after 2 iterations.
iteration 353: trace = 2.451898802067656 (1.96865e-05% change)
linmin: converged after 3 iterations.
iteration 354: trace = 2.451898177608482 (2.54684e-05% change)
linmin: converged after 2 iterations.
iteration 355: trace = 2.45189768562931 (2.00652e-05% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.45189745358336 (9.46393e-06% change)
large trace change predicted (2.18607e-05%)
linmin: converged after 3 iterations.
iteration 357: trace = 2.451896917539232 (2.18624e-05% change)
linmin: converged after 4 iterations.
iteration 358: trace = 2.451896216910838 (2.8575e-05% change)
linmin: converged after 4 iterations.
iteration 359: trace = 2.451896071765771 (5.91971e-06% change)
large trace change predicted (2.86503e-05%)
linmin: converged after 3 iterations.
iteration 360: trace = 2.45189536910911 (2.86577e-05% change)
linmin: converged after 4 iterations.
iteration 361: trace = 2.451894829568567 (2.2005e-05% change)
linmin: converged after 4 iterations.
iteration 362: trace = 2.451894548518837 (1.14626e-05% change)
large trace change predicted (3.82963e-05%)
linmin: converged after 3 iterations.
iteration 363: trace = 2.451893609166292 (3.83113e-05% change)
linmin: converged after 3 iterations.
iteration 364: trace = 2.451892360793373 (5.09147e-05% change)
linmin: converged after 3 iterations.
iteration 365: trace = 2.451891978130545 (1.56068e-05% change)
large trace change predicted (5.50288e-05%)
linmin: converged after 3 iterations.
iteration 366: trace = 2.451890628136772 (5.50593e-05% change)
linmin: converged after 3 iterations.
iteration 367: trace = 2.451889379817075 (5.09125e-05% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.451888895783192 (1.97413e-05% change)
large trace change predicted (7.53296e-05%)
linmin: converged after 3 iterations.
iteration 369: trace = 2.451887047454882 (7.53839e-05% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.451885659953243 (5.65891e-05% change)
linmin: converged after 3 iterations.
iteration 371: trace = 2.451885088224141 (2.33179e-05% change)
large trace change predicted (5.25593e-05%)
linmin: converged after 3 iterations.
iteration 372: trace = 2.451883799252872 (5.25706e-05% change)
linmin: converged after 3 iterations.
iteration 373: trace = 2.451882959846034 (3.42352e-05% change)
linmin: converged after 2 iterations.
iteration 374: trace = 2.451882637851984 (1.31325e-05% change)
large trace change predicted (2.6608e-05%)
linmin: converged after 4 iterations.
iteration 375: trace = 2.451881985403601 (2.66101e-05% change)
linmin: converged after 4 iterations.
iteration 376: trace = 2.451881666409702 (1.30102e-05% change)
linmin: converged after 3 iterations.
iteration 377: trace = 2.451881424707288 (9.85783e-06% change)
large trace change predicted (2.79728e-05%)
linmin: converged after 3 iterations.
iteration 378: trace = 2.451880738799101 (2.79748e-05% change)
linmin: converged after 4 iterations.
iteration 379: trace = 2.451880312770379 (1.73756e-05% change)
linmin: converged after 2 iterations.
iteration 380: trace = 2.451879974325696 (1.38035e-05% change)
large trace change predicted (3.59867e-05%)
linmin: converged after 4 iterations.
iteration 381: trace = 2.451879091948053 (3.59878e-05% change)
linmin: converged after 3 iterations.
iteration 382: trace = 2.451878586924512 (2.05974e-05% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.451877877061793 (2.89518e-05% change)
linmin: converged after 3 iterations.
iteration 384: trace = 2.451876608742854 (5.17285e-05% change)
linmin: converged after 11 iterations.
iteration 385: trace = 2.451875767688587 (3.43025e-05% change)
linmin: converged after 3 iterations.
iteration 386: trace = 2.451874978478529 (3.2188e-05% change)
large trace change predicted (6.86527e-05%)
linmin: converged after 4 iterations.
iteration 387: trace = 2.451873296589411 (6.85961e-05% change)
linmin: converged after 4 iterations.
iteration 388: trace = 2.451871469758743 (7.45076e-05% change)
linmin: converged after 4 iterations.
iteration 389: trace = 2.451870287619347 (4.82138e-05% change)
linmin: converged after 4 iterations.
iteration 390: trace = 2.451868320179222 (8.02425e-05% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.451867693154867 (2.55733e-05% change)
linmin: converged after 3 iterations.
iteration 392: trace = 2.451866887621613 (3.28539e-05% change)
linmin: converged after 8 iterations.
iteration 393: trace = 2.451865955401389 (3.80208e-05% change)
linmin: converged after 4 iterations.
iteration 394: trace = 2.451865719980986 (9.60168e-06% change)
large trace change predicted (1.96496e-05%)
linmin: converged after 13 iterations.
iteration 395: trace = 2.451865238246529 (1.96477e-05% change)
linmin: converged after 4 iterations.
iteration 396: trace = 2.451864655613975 (2.37628e-05% change)
linmin: converged after 5 iterations.
iteration 397: trace = 2.4518644474754 (8.48899e-06% change)
large trace change predicted (1.99883e-05%)
linmin: converged after 3 iterations.
iteration 398: trace = 2.451863957428071 (1.99867e-05% change)
linmin: converged after 3 iterations.
iteration 399: trace = 2.451863487062912 (1.9184e-05% change)
linmin: converged after 4 iterations.
iteration 400: trace = 2.451863223688848 (1.07418e-05% change)
linmin: converged after 3 iterations.
iteration 401: trace = 2.451862707241005 (2.10635e-05% change)
large trace change predicted (4.31309e-05%)
linmin: converged after 3 iterations.
iteration 402: trace = 2.451861649539083 (4.31387e-05% change)
linmin: converged after 5 iterations.
iteration 403: trace = 2.451861281443321 (1.50129e-05% change)
large trace change predicted (4.96566e-05%)
linmin: converged after 3 iterations.
iteration 404: trace = 2.451860063359621 (4.968e-05% change)
linmin: converged after 3 iterations.
iteration 405: trace = 2.451858706397193 (5.53442e-05% change)
linmin: converged after 4 iterations.
iteration 406: trace = 2.451858184270854 (2.12951e-05% change)
large trace change predicted (7.72358e-05%)
linmin: converged after 5 iterations.
iteration 407: trace = 2.451856289454036 (7.72809e-05% change)
linmin: converged after 3 iterations.
iteration 408: trace = 2.451854717228413 (6.41239e-05% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.451854037873246 (2.77078e-05% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.451852767897514 (5.17966e-05% change)
linmin: converged after 3 iterations.
iteration 411: trace = 2.451851776527858 (4.04335e-05% change)
linmin: converged after 3 iterations.
iteration 412: trace = 2.451851360826138 (1.69546e-05% change)
large trace change predicted (4.12842e-05%)
linmin: converged after 3 iterations.
iteration 413: trace = 2.451850348447989 (4.12904e-05% change)
linmin: converged after 4 iterations.
iteration 414: trace = 2.451849942354363 (1.65627e-05% change)
linmin: converged after 3 iterations.
iteration 415: trace = 2.451849601948214 (1.38836e-05% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.45184923699037 (1.4885e-05% change)
linmin: converged after 3 iterations.
iteration 417: trace = 2.4518487558609 (1.96231e-05% change)
linmin: converged after 2 iterations.
iteration 418: trace = 2.451848412291829 (1.40127e-05% change)
large trace change predicted (0.00028451%)
linmin: converged after 4 iterations.
iteration 419: trace = 2.451841436317626 (0.000284519% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 420: trace = 2.451838601804798 (0.000115608% change)
linmin: converged after 4 iterations.
iteration 421: trace = 2.451836909973618 (6.90026e-05% change)
linmin: converged after 4 iterations.
iteration 422: trace = 2.451835802033676 (4.51882e-05% change)
linmin: converged after 5 iterations.
iteration 423: trace = 2.451835562032835 (9.78862e-06% change)
linmin: converged after 2 iterations.
iteration 424: trace = 2.451835215370466 (1.41389e-05% change)
linmin: converged after 3 iterations.
iteration 425: trace = 2.451834742223461 (1.92977e-05% change)
linmin: converged after 2 iterations.
iteration 426: trace = 2.451834622123581 (4.89837e-06% change)
large trace change predicted (1.53283e-05%)
linmin: converged after 5 iterations.
iteration 427: trace = 2.451834246408475 (1.53238e-05% change)
linmin: converged after 4 iterations.
iteration 428: trace = 2.451833755519586 (2.00213e-05% change)
linmin: converged after 3 iterations.
iteration 429: trace = 2.451833441577055 (1.28044e-05% change)
linmin: converged after 4 iterations.
iteration 430: trace = 2.451832871304814 (2.3259e-05% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.451832128766152 (3.0285e-05% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.451831696871643 (1.76152e-05% change)
large trace change predicted (4.8364e-05%)
linmin: converged after 4 iterations.
iteration 433: trace = 2.451830511790898 (4.83345e-05% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.451830084932789 (1.74098e-05% change)
linmin: converged after 5 iterations.
iteration 435: trace = 2.451829718368761 (1.49506e-05% change)
large trace change predicted (3.22146e-05%)
linmin: converged after 3 iterations.
iteration 436: trace = 2.451828928830973 (3.2202e-05% change)
linmin: converged after 4 iterations.
iteration 437: trace = 2.451828555280068 (1.52356e-05% change)
linmin: converged after 4 iterations.
iteration 438: trace = 2.451828125337213 (1.75356e-05% change)
linmin: converged after 5 iterations.
iteration 439: trace = 2.451827555368756 (2.32467e-05% change)
linmin: converged after 5 iterations.
iteration 440: trace = 2.451827131496278 (1.7288e-05% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.451826837456072 (1.19927e-05% change)
linmin: converged after 4 iterations.
iteration 442: trace = 2.451826425024183 (1.68214e-05% change)
linmin: converged after 2 iterations.
iteration 443: trace = 2.451826327980715 (3.95801e-06% change)
large trace change predicted (9.15843e-06%)
linmin: converged after 2 iterations.
iteration 444: trace = 2.451826103428814 (9.15856e-06% change)
linmin: converged after 2 iterations.
iteration 445: trace = 2.451825844898365 (1.05444e-05% change)
linmin: converged after 3 iterations.
iteration 446: trace = 2.451825711670842 (5.43381e-06% change)
linmin: converged after 4 iterations.
iteration 447: trace = 2.451825476833464 (9.57806e-06% change)
linmin: converged after 6 iterations.
iteration 448: trace = 2.45182523625104 (9.81238e-06% change)
linmin: converged after 2 iterations.
iteration 449: trace = 2.451825117673762 (4.83629e-06% change)
large trace change predicted (1.42353e-05%)
linmin: converged after 3 iterations.
iteration 450: trace = 2.451824768562432 (1.42388e-05% change)
large trace change predicted (2.8499e-05%)
linmin: converged after 3 iterations.
iteration 451: trace = 2.451824069375237 (2.8517e-05% change)
linmin: converged after 2 iterations.
iteration 452: trace = 2.451823856700439 (8.67415e-06% change)
large trace change predicted (3.26671e-05%)
linmin: converged after 4 iterations.
iteration 453: trace = 2.451823055413986 (3.26812e-05% change)
linmin: converged after 3 iterations.
iteration 454: trace = 2.451822534632694 (2.12406e-05% change)
linmin: converged after 4 iterations.
iteration 455: trace = 2.451822278183291 (1.04595e-05% change)
linmin: converged after 3 iterations.
iteration 456: trace = 2.451821801070401 (1.94595e-05% change)
linmin: converged after 3 iterations.
iteration 457: trace = 2.451820979456362 (3.35104e-05% change)
linmin: converged after 2 iterations.
iteration 458: trace = 2.451820789967071 (7.72851e-06% change)
large trace change predicted (1.9624e-05%)
linmin: converged after 5 iterations.
iteration 459: trace = 2.451820308753132 (1.96268e-05% change)
linmin: converged after 4 iterations.
iteration 460: trace = 2.451819974130427 (1.36479e-05% change)
linmin: converged after 3 iterations.
iteration 461: trace = 2.451819876449114 (3.98403e-06% change)
large trace change predicted (9.35897e-06%)
linmin: converged after 3 iterations.
iteration 462: trace = 2.451819646985611 (9.35891e-06% change)
linmin: converged after 6 iterations.
iteration 463: trace = 2.451819501494014 (5.93403e-06% change)
linmin: converged after 4 iterations.
iteration 464: trace = 2.451819453452388 (1.95943e-06% change)
large trace change predicted (7.48994e-06%)
linmin: converged after 3 iterations.
iteration 465: trace = 2.451819269819177 (7.48967e-06% change)
linmin: converged after 3 iterations.
iteration 466: trace = 2.451819114108615 (6.35082e-06% change)
linmin: converged after 3 iterations.
iteration 467: trace = 2.451819017209697 (3.95212e-06% change)
linmin: converged after 5 iterations.
iteration 468: trace = 2.451818837296233 (7.33796e-06% change)
linmin: converged after 3 iterations.
iteration 469: trace = 2.451818602208911 (9.58828e-06% change)
linmin: converged after 2 iterations.
iteration 470: trace = 2.451818356080005 (1.00386e-05% change)
large trace change predicted (2.7634e-05%)
linmin: converged after 3 iterations.
iteration 471: trace = 2.451817678667935 (2.7629e-05% change)
linmin: converged after 3 iterations.
iteration 472: trace = 2.451817380165583 (1.21747e-05% change)
linmin: converged after 4 iterations.
iteration 473: trace = 2.451816898342992 (1.96517e-05% change)
linmin: converged after 4 iterations.
iteration 474: trace = 2.451816485475382 (1.68393e-05% change)
linmin: converged after 3 iterations.
iteration 475: trace = 2.4518162779371 (8.46467e-06% change)
linmin: converged after 3 iterations.
iteration 476: trace = 2.451816045785287 (9.46857e-06% change)
linmin: converged after 11 iterations.
iteration 477: trace = 2.451815700665402 (1.40761e-05% change)
linmin: converged after 2 iterations.
iteration 478: trace = 2.451815534090509 (6.79394e-06% change)
linmin: converged after 4 iterations.
iteration 479: trace = 2.451815426527374 (4.38708e-06% change)
large trace change predicted (9.40697e-06%)
linmin: converged after 3 iterations.
iteration 480: trace = 2.451815195888033 (9.40688e-06% change)
linmin: converged after 3 iterations.
iteration 481: trace = 2.451815151679409 (1.8031e-06% change)
large trace change predicted (6.46819e-06%)
linmin: converged after 3 iterations.
iteration 482: trace = 2.451814993092279 (6.46815e-06% change)
linmin: converged after 4 iterations.
iteration 483: trace = 2.451814898769976 (3.84704e-06% change)
linmin: converged after 3 iterations.
iteration 484: trace = 2.451814821722924 (3.14245e-06% change)
linmin: converged after 4 iterations.
iteration 485: trace = 2.451814729426451 (3.76441e-06% change)
large trace change predicted (7.80835e-06%)
linmin: converged after 2 iterations.
iteration 486: trace = 2.451814537975693 (7.80853e-06% change)
linmin: converged after 4 iterations.
iteration 487: trace = 2.451814474613091 (2.58431e-06% change)
large trace change predicted (8.30426e-06%)
linmin: converged after 2 iterations.
iteration 488: trace = 2.451814271007475 (8.30428e-06% change)
linmin: converged after 2 iterations.
iteration 489: trace = 2.451814039280148 (9.45126e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.45181397042017 (2.80853e-06% change)
large trace change predicted (6.5636e-06%)
linmin: converged after 3 iterations.
iteration 491: trace = 2.451813809493573 (6.56357e-06% change)
linmin: converged after 2 iterations.
iteration 492: trace = 2.451813652401437 (6.40718e-06% change)
linmin: converged after 2 iterations.
iteration 493: trace = 2.451813593204902 (2.4144e-06% change)
large trace change predicted (7.02741e-06%)
linmin: converged after 2 iterations.
iteration 494: trace = 2.451813420904794 (7.02746e-06% change)
linmin: converged after 2 iterations.
iteration 495: trace = 2.451813311925445 (4.44485e-06% change)
linmin: converged after 3 iterations.
iteration 496: trace = 2.451813268333645 (1.77794e-06% change)
large trace change predicted (4.48681e-06%)
linmin: converged after 10 iterations.
iteration 497: trace = 2.45181315832615 (4.48678e-06% change)
linmin: converged after 6 iterations.
iteration 498: trace = 2.451813072051939 (3.51879e-06% change)
linmin: converged after 4 iterations.
iteration 499: trace = 2.451812990208225 (3.33809e-06% change)
linmin: converged after 3 iterations.
iteration 500: trace = 2.451812851103136 (5.67356e-06% change)
linmin: converged after 4 iterations.
iteration 501: trace = 2.451812701797941 (6.08958e-06% change)
linmin: converged after 4 iterations.
iteration 502: trace = 2.451812642402236 (2.42252e-06% change)
large trace change predicted (1.08472e-05%)
linmin: converged after 3 iterations.
iteration 503: trace = 2.451812376423422 (1.08483e-05% change)
linmin: converged after 3 iterations.
iteration 504: trace = 2.45181219671429 (7.32964e-06% change)
linmin: converged after 3 iterations.
iteration 505: trace = 2.451812031888245 (6.72262e-06% change)
large trace change predicted (1.47998e-05%)
linmin: converged after 4 iterations.
iteration 506: trace = 2.451811668983072 (1.48015e-05% change)
linmin: converged after 3 iterations.
iteration 507: trace = 2.451811535793213 (5.4323e-06% change)
linmin: converged after 6 iterations.
iteration 508: trace = 2.451811302711546 (9.50651e-06% change)
large trace change predicted (2.01283e-05%)
linmin: converged after 3 iterations.
iteration 509: trace = 2.451810809150256 (2.01305e-05% change)
linmin: converged after 3 iterations.
iteration 510: trace = 2.451810555415283 (1.03489e-05% change)
linmin: converged after 4 iterations.
iteration 511: trace = 2.451810455292982 (4.08361e-06% change)
large trace change predicted (1.04831e-05%)
linmin: converged after 3 iterations.
iteration 512: trace = 2.451810198235681 (1.04844e-05% change)
linmin: converged after 2 iterations.
iteration 513: trace = 2.451810123605975 (3.04386e-06% change)
large trace change predicted (6.34359e-06%)
linmin: converged after 3 iterations.
iteration 514: trace = 2.451809968056701 (6.34426e-06% change)
linmin: converged after 23 iterations.
iteration 515: trace = 2.451809878185027 (3.66552e-06% change)
linmin: converged after 2 iterations.
iteration 516: trace = 2.45180979173746 (3.52587e-06% change)
linmin: converged after 2 iterations.
iteration 517: trace = 2.451809703055815 (3.61699e-06% change)
linmin: converged after 3 iterations.
iteration 518: trace = 2.451809546049716 (6.40368e-06% change)
linmin: converged after 3 iterations.
iteration 519: trace = 2.45180944165795 (4.25774e-06% change)
linmin: converged after 8 iterations.
iteration 520: trace = 2.451809368212193 (2.99557e-06% change)
large trace change predicted (8.31118e-06%)
linmin: converged after 4 iterations.
iteration 521: trace = 2.451809164454754 (8.31049e-06% change)
linmin: converged after 5 iterations.
iteration 522: trace = 2.451808943771632 (9.00083e-06% change)
linmin: converged after 2 iterations.
iteration 523: trace = 2.451808847262238 (3.93625e-06% change)
large trace change predicted (8.65338e-06%)
linmin: converged after 13 iterations.
iteration 524: trace = 2.451808635094025 (8.65354e-06% change)
linmin: converged after 5 iterations.
iteration 525: trace = 2.451808373553239 (1.06673e-05% change)
linmin: converged after 3 iterations.
iteration 526: trace = 2.451808269918728 (4.22686e-06% change)
large trace change predicted (2.52299e-05%)
linmin: converged after 3 iterations.
iteration 527: trace = 2.451807651595333 (2.52191e-05% change)
linmin: converged after 5 iterations.
iteration 528: trace = 2.451807165020936 (1.98455e-05% change)
linmin: converged after 3 iterations.
iteration 529: trace = 2.451807010632332 (6.29693e-06% change)
linmin: converged after 3 iterations.
iteration 530: trace = 2.451806790750918 (8.96814e-06% change)
linmin: converged after 3 iterations.
iteration 531: trace = 2.451806587138382 (8.30459e-06% change)
linmin: converged after 3 iterations.
iteration 532: trace = 2.451806541745118 (1.85142e-06% change)
large trace change predicted (7.01143e-06%)
linmin: converged after 8 iterations.
iteration 533: trace = 2.451806369845106 (7.01116e-06% change)
linmin: converged after 3 iterations.
iteration 534: trace = 2.451806295741114 (3.02242e-06% change)
linmin: converged after 7 iterations.
iteration 535: trace = 2.451806242803898 (2.15911e-06% change)
large trace change predicted (5.33882e-06%)
linmin: converged after 4 iterations.
iteration 536: trace = 2.451806111903806 (5.33892e-06% change)
linmin: converged after 2 iterations.
iteration 537: trace = 2.451806065983852 (1.8729e-06% change)
large trace change predicted (4.69983e-06%)
linmin: converged after 2 iterations.
iteration 538: trace = 2.451805950750366 (4.69994e-06% change)
linmin: converged after 3 iterations.
iteration 539: trace = 2.451805840143377 (4.51125e-06% change)
linmin: converged after 3 iterations.
iteration 540: trace = 2.451805694770904 (5.9292e-06% change)
linmin: converged after 3 iterations.
iteration 541: trace = 2.45180551485643 (7.33804e-06% change)
linmin: converged after 3 iterations.
iteration 542: trace = 2.45180519789092 (1.29278e-05% change)
linmin: converged after 5 iterations.
iteration 543: trace = 2.451805085639186 (4.57833e-06% change)
large trace change predicted (1.22654e-05%)
linmin: converged after 3 iterations.
iteration 544: trace = 2.451804784802842 (1.227e-05% change)
linmin: converged after 4 iterations.
iteration 545: trace = 2.45180449718559 (1.17308e-05% change)
linmin: converged after 4 iterations.
iteration 546: trace = 2.451804345794657 (6.17467e-06% change)
linmin: converged after 4 iterations.
iteration 547: trace = 2.451804065164666 (1.14459e-05% change)
linmin: converged after 3 iterations.
iteration 548: trace = 2.451803697266883 (1.50052e-05% change)
linmin: converged after 4 iterations.
iteration 549: trace = 2.451803507750984 (7.72965e-06% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.451803423903701 (3.41982e-06% change)
large trace change predicted (9.1367e-06%)
linmin: converged after 4 iterations.
iteration 551: trace = 2.451803199855364 (9.1381e-06% change)
linmin: converged after 14 iterations.
iteration 552: trace = 2.451803155076162 (1.82638e-06% change)
large trace change predicted (4.78125e-06%)
linmin: converged after 2 iterations.
iteration 553: trace = 2.451803037843257 (4.7815e-06% change)
linmin: converged after 3 iterations.
iteration 554: trace = 2.451802941600485 (3.92539e-06% change)
linmin: converged after 3 iterations.
iteration 555: trace = 2.451802840511119 (4.12306e-06% change)
linmin: converged after 5 iterations.
iteration 556: trace = 2.451802762045059 (3.20034e-06% change)
large trace change predicted (1.34886e-05%)
linmin: converged after 2 iterations.
iteration 557: trace = 2.451802431305149 (1.34897e-05% change)
linmin: converged after 4 iterations.
iteration 558: trace = 2.451802333627822 (3.9839e-06% change)
large trace change predicted (2.98762e-05%)
linmin: converged after 4 iterations.
iteration 559: trace = 2.451801601086465 (2.98777e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 560: trace = 2.451801153491394 (1.82558e-05% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.45180108374121 (2.84485e-06% change)
large trace change predicted (1.01516e-05%)
linmin: converged after 4 iterations.
iteration 562: trace = 2.451800834854224 (1.01512e-05% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.451800745417124 (3.64781e-06% change)
linmin: converged after 3 iterations.
iteration 564: trace = 2.451800646513976 (4.0339e-06% change)
linmin: converged after 3 iterations.
iteration 565: trace = 2.451800512467677 (5.46726e-06% change)
linmin: converged after 2 iterations.
iteration 566: trace = 2.451800411762568 (4.10739e-06% change)
linmin: converged after 4 iterations.
iteration 567: trace = 2.451800347132134 (2.63604e-06% change)
large trace change predicted (8.23316e-06%)
linmin: converged after 4 iterations.
iteration 568: trace = 2.451800145289141 (8.23244e-06% change)
linmin: converged after 3 iterations.
iteration 569: trace = 2.451800106853036 (1.56767e-06% change)
large trace change predicted (5.14584e-06%)
linmin: converged after 3 iterations.
iteration 570: trace = 2.451799980693867 (5.14557e-06% change)
linmin: converged after 4 iterations.
iteration 571: trace = 2.451799882626001 (3.99983e-06% change)
linmin: converged after 5 iterations.
iteration 572: trace = 2.451799828486288 (2.20816e-06% change)
linmin: converged after 3 iterations.
iteration 573: trace = 2.451799727720482 (4.10987e-06% change)
linmin: converged after 7 iterations.
iteration 574: trace = 2.451799594202265 (5.44572e-06% change)
linmin: converged after 16 iterations.
iteration 575: trace = 2.451799496038755 (4.00373e-06% change)
linmin: converged after 3 iterations.
iteration 576: trace = 2.451799318106548 (7.25721e-06% change)
linmin: converged after 4 iterations.
iteration 577: trace = 2.451799026272029 (1.19029e-05% change)
linmin: converged after 2 iterations.
iteration 578: trace = 2.451798953869357 (2.95304e-06% change)
large trace change predicted (8.88296e-06%)
linmin: converged after 4 iterations.
iteration 579: trace = 2.451798736137125 (8.88051e-06% change)
linmin: converged after 3 iterations.
iteration 580: trace = 2.451798579490022 (6.38907e-06% change)
linmin: converged after 3 iterations.
iteration 581: trace = 2.451798522258595 (2.33426e-06% change)
linmin: converged after 7 iterations.
iteration 582: trace = 2.451798446005962 (3.11007e-06% change)
linmin: converged after 3 iterations.
iteration 583: trace = 2.451798380702826 (2.66348e-06% change)
linmin: converged after 10 iterations.
iteration 584: trace = 2.451798361601048 (7.79093e-07% change)
large trace change predicted (1.6686e-06%)
linmin: converged after 12 iterations.
iteration 585: trace = 2.451798320687891 (1.6687e-06% change)
linmin: converged after 29 iterations.
iteration 586: trace = 2.451798269075065 (2.1051e-06% change)
linmin: converged after 4 iterations.
iteration 587: trace = 2.451798249597147 (7.94434e-07% change)
large trace change predicted (2.10791e-06%)
linmin: converged after 2 iterations.
iteration 588: trace = 2.451798197910782 (2.1081e-06% change)
linmin: converged after 3 iterations.
iteration 589: trace = 2.451798103202622 (3.8628e-06% change)
linmin: converged after 23 iterations.
iteration 590: trace = 2.45179806636828 (1.50234e-06% change)
large trace change predicted (6.38346e-06%)
linmin: converged after 5 iterations.
iteration 591: trace = 2.451797909799967 (6.38586e-06% change)
linmin: converged after 3 iterations.
iteration 592: trace = 2.451797700825857 (8.5233e-06% change)
linmin: converged after 3 iterations.
iteration 593: trace = 2.451797650701557 (2.04439e-06% change)
large trace change predicted (7.16465e-06%)
linmin: converged after 3 iterations.
iteration 594: trace = 2.451797474999589 (7.16625e-06% change)
linmin: converged after 4 iterations.
iteration 595: trace = 2.45179736829139 (4.35224e-06% change)
linmin: converged after 2 iterations.
iteration 596: trace = 2.451797306593138 (2.51645e-06% change)
large trace change predicted (6.90777e-06%)
linmin: converged after 5 iterations.
iteration 597: trace = 2.451797137200148 (6.90893e-06% change)
linmin: converged after 3 iterations.
iteration 598: trace = 2.451797018091173 (4.85803e-06% change)
linmin: converged after 3 iterations.
iteration 599: trace = 2.451796981007111 (1.51253e-06% change)
linmin: converged after 3 iterations.
iteration 600: trace = 2.451796914839586 (2.69874e-06% change)
linmin: converged after 2 iterations.
iteration 601: trace = 2.451796860366236 (2.22177e-06% change)
linmin: converged after 16 iterations.
iteration 602: trace = 2.45179683762685 (9.27458e-07% change)
linmin: converged after 4 iterations.
iteration 603: trace = 2.451796807430568 (1.2316e-06% change)
linmin: converged after 5 iterations.
iteration 604: trace = 2.451796775770115 (1.29132e-06% change)
linmin: converged after 6 iterations.
iteration 605: trace = 2.451796761812919 (5.69264e-07% change)
large trace change predicted (2.80158e-06%)
linmin: converged after 3 iterations.
iteration 606: trace = 2.451796693126069 (2.80149e-06% change)
linmin: converged after 4 iterations.
iteration 607: trace = 2.451796637646316 (2.26282e-06% change)
linmin: converged after 3 iterations.
iteration 608: trace = 2.451796589005789 (1.98387e-06% change)
linmin: converged after 17 iterations.
iteration 609: trace = 2.45179650894177 (3.26552e-06% change)
linmin: converged after 3 iterations.
iteration 610: trace = 2.451796416142364 (3.78496e-06% change)
linmin: converged after 5 iterations.
iteration 611: trace = 2.451796380774903 (1.44251e-06% change)
large trace change predicted (3.91269e-06%)
linmin: converged after 6 iterations.
iteration 612: trace = 2.451796284848199 (3.91251e-06% change)
linmin: converged after 17 iterations.
iteration 613: trace = 2.451796197580161 (3.55935e-06% change)
linmin: converged after 3 iterations.
iteration 614: trace = 2.451796159506312 (1.5529e-06% change)
large trace change predicted (4.1946e-06%)
linmin: converged after 2 iterations.
iteration 615: trace = 2.451796056662793 (4.19462e-06% change)
linmin: converged after 3 iterations.
iteration 616: trace = 2.451796008460974 (1.96598e-06% change)
linmin: converged after 4 iterations.
iteration 617: trace = 2.451795934751596 (3.00634e-06% change)
linmin: converged after 3 iterations.
iteration 618: trace = 2.451795871899575 (2.56351e-06% change)
linmin: converged after 3 iterations.
iteration 619: trace = 2.451795799550017 (2.95088e-06% change)
linmin: converged after 4 iterations.
iteration 620: trace = 2.451795778367173 (8.63973e-07% change)
large trace change predicted (2.31433e-06%)
linmin: converged after 3 iterations.
iteration 621: trace = 2.45179572162593 (2.31427e-06% change)
linmin: converged after 18 iterations.
iteration 622: trace = 2.451795708207833 (5.47276e-07% change)
linmin: converged after 2 iterations.
iteration 623: trace = 2.451795690512415 (7.21733e-07% change)
linmin: converged after 2 iterations.
iteration 624: trace = 2.451795663740037 (1.09195e-06% change)
linmin: converged after 2 iterations.
iteration 625: trace = 2.451795636314248 (1.1186e-06% change)
linmin: converged after 3 iterations.
iteration 626: trace = 2.451795612065196 (9.89032e-07% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.451795578668878 (1.36212e-06% change)
linmin: converged after 6 iterations.
iteration 628: trace = 2.451795549344755 (1.19603e-06% change)
linmin: converged after 3 iterations.
iteration 629: trace = 2.45179552683532 (9.1808e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.45179550633759 (8.36029e-07% change)
linmin: converged after 3 iterations.
iteration 631: trace = 2.451795483086964 (9.4831e-07% change)
linmin: converged after 2 iterations.
iteration 632: trace = 2.451795454197489 (1.1783e-06% change)
linmin: converged after 4 iterations.
iteration 633: trace = 2.451795436678621 (7.14532e-07% change)
linmin: converged after 2 iterations.
iteration 634: trace = 2.451795407830215 (1.17662e-06% change)
linmin: converged after 2 iterations.
iteration 635: trace = 2.451795381449867 (1.07596e-06% change)
linmin: converged after 3 iterations.
iteration 636: trace = 2.45179537268668 (3.57419e-07% change)
large trace change predicted (9.79051e-07%)
linmin: converged after 2 iterations.
iteration 637: trace = 2.45179534868218 (9.79058e-07% change)
linmin: converged after 3 iterations.
iteration 638: trace = 2.451795308279801 (1.64787e-06% change)
linmin: converged after 20 iterations.
iteration 639: trace = 2.451795293393064 (6.07177e-07% change)
large trace change predicted (2.127e-06%)
linmin: converged after 4 iterations.
iteration 640: trace = 2.451795241240033 (2.12714e-06% change)
linmin: converged after 4 iterations.
iteration 641: trace = 2.451795195211573 (1.87734e-06% change)
linmin: converged after 4 iterations.
iteration 642: trace = 2.451795176314502 (7.70744e-07% change)
large trace change predicted (2.72894e-06%)
linmin: converged after 3 iterations.
iteration 643: trace = 2.451795109405027 (2.729e-06% change)
linmin: converged after 2 iterations.
iteration 644: trace = 2.451795045225142 (2.61767e-06% change)
linmin: converged after 3 iterations.
iteration 645: trace = 2.451795018719291 (1.08108e-06% change)
large trace change predicted (3.91316e-06%)
linmin: converged after 3 iterations.
iteration 646: trace = 2.451794922770125 (3.91343e-06% change)
linmin: converged after 3 iterations.
iteration 647: trace = 2.451794862899225 (2.44192e-06% change)
linmin: converged after 5 iterations.
iteration 648: trace = 2.451794837946719 (1.01772e-06% change)
large trace change predicted (3.91294e-06%)
linmin: converged after 19 iterations.
iteration 649: trace = 2.451794742003182 (3.9132e-06% change)
linmin: converged after 2 iterations.
iteration 650: trace = 2.451794686975485 (2.24438e-06% change)
linmin: converged after 10 iterations.
iteration 651: trace = 2.451794667568173 (7.91555e-07% change)
large trace change predicted (2.73197e-06%)
linmin: converged after 2 iterations.
iteration 652: trace = 2.451794600583064 (2.73208e-06% change)
linmin: converged after 2 iterations.
iteration 653: trace = 2.451794557844939 (1.74314e-06% change)
linmin: converged after 4 iterations.
iteration 654: trace = 2.451794543115632 (6.00756e-07% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.451794522327706 (8.47866e-07% change)
linmin: converged after 5 iterations.
iteration 656: trace = 2.451794492486638 (1.21711e-06% change)
linmin: converged after 3 iterations.
iteration 657: trace = 2.451794485169604 (2.98436e-07% change)
large trace change predicted (1.75868e-06%)
linmin: converged after 2 iterations.
iteration 658: trace = 2.451794442048696 (1.75875e-06% change)
linmin: converged after 7 iterations.
iteration 659: trace = 2.451794407418552 (1.41244e-06% change)
linmin: converged after 2 iterations.
iteration 660: trace = 2.451794383113304 (9.91325e-07% change)
large trace change predicted (2.37022e-06%)
linmin: converged after 3 iterations.
iteration 661: trace = 2.451794325004935 (2.37003e-06% change)
linmin: converged after 4 iterations.
iteration 662: trace = 2.451794254543248 (2.87388e-06% change)
linmin: converged after 17 iterations.
iteration 663: trace = 2.451794216688021 (1.54398e-06% change)
linmin: converged after 25 iterations.
iteration 664: trace = 2.451794164297232 (2.13683e-06% change)
linmin: converged after 3 iterations.
iteration 665: trace = 2.451794063633481 (4.10572e-06% change)
linmin: converged after 4 iterations.
iteration 666: trace = 2.451793942038218 (4.95944e-06% change)
linmin: converged after 5 iterations.
iteration 667: trace = 2.451793909579729 (1.32387e-06% change)
large trace change predicted (4.14426e-06%)
linmin: converged after 3 iterations.
iteration 668: trace = 2.451793807989577 (4.1435e-06% change)
linmin: converged after 3 iterations.
iteration 669: trace = 2.451793769166152 (1.58347e-06% change)
linmin: converged after 3 iterations.
iteration 670: trace = 2.451793738676322 (1.24357e-06% change)
linmin: converged after 3 iterations.
iteration 671: trace = 2.451793697207118 (1.69138e-06% change)
linmin: converged after 4 iterations.
iteration 672: trace = 2.451793685346335 (4.83759e-07% change)
large trace change predicted (1.00259e-06%)
linmin: converged after 2 iterations.
iteration 673: trace = 2.451793660764926 (1.00259e-06% change)
linmin: converged after 7 iterations.
iteration 674: trace = 2.45179364255815 (7.4259e-07% change)
linmin: converged after 19 iterations.
iteration 675: trace = 2.451793634650099 (3.22541e-07% change)
large trace change predicted (1.26364e-06%)
linmin: converged after 23 iterations.
iteration 676: trace = 2.451793603667983 (1.26365e-06% change)
linmin: converged after 3 iterations.
iteration 677: trace = 2.451793553949058 (2.02786e-06% change)
linmin: converged after 5 iterations.
iteration 678: trace = 2.451793533992017 (8.13977e-07% change)
linmin: converged after 11 iterations.
iteration 679: trace = 2.451793496294306 (1.53756e-06% change)
large trace change predicted (4.19031e-06%)
linmin: converged after 4 iterations.
iteration 680: trace = 2.451793393536344 (4.19113e-06% change)
linmin: converged after 3 iterations.
iteration 681: trace = 2.45179336580716 (1.13098e-06% change)
large trace change predicted (4.21856e-06%)
linmin: converged after 4 iterations.
iteration 682: trace = 2.451793262353742 (4.2195e-06% change)
linmin: converged after 4 iterations.
iteration 683: trace = 2.451793181731778 (3.28829e-06% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.451793157187403 (1.00108e-06% change)
large trace change predicted (2.22357e-06%)
linmin: converged after 3 iterations.
iteration 685: trace = 2.451793102666251 (2.22373e-06% change)
linmin: converged after 4 iterations.
iteration 686: trace = 2.451793049653916 (2.16219e-06% change)
linmin: converged after 2 iterations.
iteration 687: trace = 2.451793025429164 (9.88042e-07% change)
linmin: converged after 3 iterations.
iteration 688: trace = 2.4517929878891 (1.53113e-06% change)
linmin: converged after 2 iterations.
iteration 689: trace = 2.451792940549093 (1.93083e-06% change)
linmin: converged after 6 iterations.
iteration 690: trace = 2.451792915883914 (1.00601e-06% change)
linmin: converged after 19 iterations.
iteration 691: trace = 2.451792876064795 (1.62408e-06% change)
linmin: converged after 4 iterations.
iteration 692: trace = 2.451792838345648 (1.53843e-06% change)
linmin: converged after 3 iterations.
iteration 693: trace = 2.451792826915167 (4.66209e-07% change)
large trace change predicted (1.79506e-06%)
linmin: converged after 4 iterations.
iteration 694: trace = 2.45179278290272 (1.79511e-06% change)
linmin: converged after 3 iterations.
iteration 695: trace = 2.451792747438423 (1.44646e-06% change)
linmin: converged after 5 iterations.
iteration 696: trace = 2.451792716364385 (1.2674e-06% change)
linmin: converged after 2 iterations.
iteration 697: trace = 2.451792665784828 (2.06296e-06% change)
linmin: converged after 2 iterations.
iteration 698: trace = 2.451792565258818 (4.1001e-06% change)
linmin: converged after 3 iterations.
iteration 699: trace = 2.45179236980796 (7.97175e-06% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 700: trace = 2.451792265840784 (4.24046e-06% change)
linmin: converged after 3 iterations.
iteration 701: trace = 2.451792191930716 (3.01453e-06% change)
linmin: converged after 2 iterations.
iteration 702: trace = 2.451792148664044 (1.7647e-06% change)
linmin: converged after 13 iterations.
iteration 703: trace = 2.451792122137848 (1.08191e-06% change)
large trace change predicted (2.81916e-06%)
linmin: converged after 3 iterations.
iteration 704: trace = 2.451792053020108 (2.81907e-06% change)
linmin: converged after 5 iterations.
iteration 705: trace = 2.451792027058153 (1.0589e-06% change)
linmin: converged after 2 iterations.
iteration 706: trace = 2.45179201006231 (6.93201e-07% change)
large trace change predicted (1.91178e-06%)
linmin: converged after 3 iterations.
iteration 707: trace = 2.451791963190513 (1.91174e-06% change)
linmin: converged after 4 iterations.
iteration 708: trace = 2.451791954954061 (3.35936e-07% change)
large trace change predicted (1.13734e-06%)
linmin: converged after 3 iterations.
iteration 709: trace = 2.451791927069571 (1.13731e-06% change)
linmin: converged after 3 iterations.
iteration 710: trace = 2.451791905694446 (8.71816e-07% change)
linmin: converged after 3 iterations.
iteration 711: trace = 2.45179189536726 (4.2121e-07% change)
large trace change predicted (9.59289e-07%)
linmin: converged after 3 iterations.
iteration 712: trace = 2.45179187184791 (9.59272e-07% change)
linmin: converged after 25 iterations.
iteration 713: trace = 2.45179183881496 (1.3473e-06% change)
linmin: converged after 2 iterations.
iteration 714: trace = 2.451791828748036 (4.10595e-07% change)
large trace change predicted (1.72028e-06%)
linmin: converged after 7 iterations.
iteration 715: trace = 2.45179178657364 (1.72015e-06% change)
linmin: converged after 16 iterations.
iteration 716: trace = 2.451791739505495 (1.91974e-06% change)
linmin: converged after 5 iterations.
iteration 717: trace = 2.451791726865672 (5.15534e-07% change)
large trace change predicted (2.28472e-06%)
linmin: converged after 3 iterations.
iteration 718: trace = 2.451791670854469 (2.2845e-06% change)
linmin: converged after 19 iterations.
iteration 719: trace = 2.451791623146107 (1.94586e-06% change)
linmin: converged after 5 iterations.
iteration 720: trace = 2.451791604248033 (7.70786e-07% change)
linmin: converged after 20 iterations.
iteration 721: trace = 2.451791578522004 (1.04927e-06% change)
linmin: converged after 5 iterations.
iteration 722: trace = 2.45179154531984 (1.3542e-06% change)
linmin: converged after 3 iterations.
iteration 723: trace = 2.45179154001316 (2.16441e-07% change)
large trace change predicted (1.04398e-06%)
linmin: converged after 7 iterations.
iteration 724: trace = 2.451791514417294 (1.04397e-06% change)
linmin: converged after 2 iterations.
iteration 725: trace = 2.451791499697777 (6.00358e-07% change)
linmin: converged after 6 iterations.
iteration 726: trace = 2.451791490821247 (3.62043e-07% change)
linmin: converged after 21 iterations.
iteration 727: trace = 2.451791479182166 (4.74717e-07% change)
linmin: converged after 20 iterations.
iteration 728: trace = 2.451791468603028 (4.31486e-07% change)
linmin: converged after 22 iterations.
iteration 729: trace = 2.451791463214177 (2.19792e-07% change)
large trace change predicted (4.4337e-07%)
linmin: converged after 4 iterations.
iteration 730: trace = 2.451791452343017 (4.43397e-07% change)
linmin: converged after 13 iterations.
iteration 731: trace = 2.451791433208534 (7.80429e-07% change)
linmin: converged after 3 iterations.
iteration 732: trace = 2.451791427326031 (2.39927e-07% change)
large trace change predicted (1.51442e-06%)
linmin: converged after 3 iterations.
iteration 733: trace = 2.451791390191013 (1.51461e-06% change)
linmin: converged after 3 iterations.
iteration 734: trace = 2.451791339090589 (2.08421e-06% change)
linmin: converged after 4 iterations.
iteration 735: trace = 2.451791314687017 (9.95336e-07% change)
linmin: converged after 6 iterations.
iteration 736: trace = 2.4517912856032 (1.18623e-06% change)
linmin: converged after 3 iterations.
iteration 737: trace = 2.451791227755417 (2.35941e-06% change)
linmin: converged after 2 iterations.
iteration 738: trace = 2.451791216222877 (4.70372e-07% change)
large trace change predicted (1.06006e-06%)
linmin: converged after 27 iterations.
iteration 739: trace = 2.451791190230289 (1.06015e-06% change)
linmin: converged after 5 iterations.
iteration 740: trace = 2.451791175816381 (5.87893e-07% change)
linmin: converged after 4 iterations.
iteration 741: trace = 2.451791171007147 (1.96152e-07% change)
large trace change predicted (4.24916e-07%)
linmin: converged after 7 iterations.
iteration 742: trace = 2.451791160588906 (4.24924e-07% change)
linmin: converged after 4 iterations.
iteration 743: trace = 2.451791150675575 (4.0433e-07% change)
linmin: converged after 4 iterations.
iteration 744: trace = 2.451791145408891 (2.1481e-07% change)
linmin: converged after 3 iterations.
iteration 745: trace = 2.451791137991258 (3.02539e-07% change)
large trace change predicted (6.95864e-07%)
linmin: converged after 3 iterations.
iteration 746: trace = 2.451791120930879 (6.95833e-07% change)
linmin: converged after 26 iterations.
iteration 747: trace = 2.451791117822212 (1.26792e-07% change)
large trace change predicted (7.7344e-07%)
linmin: converged after 3 iterations.
iteration 748: trace = 2.451791098859697 (7.73415e-07% change)
linmin: converged after 4 iterations.
iteration 749: trace = 2.451791091886388 (2.84417e-07% change)
linmin: converged after 4 iterations.
iteration 750: trace = 2.451791081648536 (4.17566e-07% change)
large trace change predicted (8.54253e-07%)
linmin: converged after 9 iterations.
iteration 751: trace = 2.451791060704737 (8.54224e-07% change)
linmin: converged after 2 iterations.
iteration 752: trace = 2.451791041158371 (7.97228e-07% change)
linmin: converged after 3 iterations.
iteration 753: trace = 2.451791032627479 (3.47945e-07% change)
large trace change predicted (1.04605e-06%)
linmin: converged after 2 iterations.
iteration 754: trace = 2.451791006980357 (1.04606e-06% change)
linmin: converged after 4 iterations.
iteration 755: trace = 2.451790980819919 (1.06699e-06% change)
linmin: converged after 4 iterations.
iteration 756: trace = 2.451790974218321 (2.69256e-07% change)
large trace change predicted (1.11218e-06%)
linmin: converged after 3 iterations.
iteration 757: trace = 2.451790946951377 (1.11212e-06% change)
linmin: converged after 3 iterations.
iteration 758: trace = 2.451790925440033 (8.77373e-07% change)
linmin: converged after 13 iterations.
iteration 759: trace = 2.451790920711863 (1.92846e-07% change)
large trace change predicted (4.36471e-07%)
linmin: converged after 8 iterations.
iteration 760: trace = 2.45179091001081 (4.36459e-07% change)
linmin: converged after 8 iterations.
iteration 761: trace = 2.451790900670096 (3.80975e-07% change)
linmin: converged after 4 iterations.
iteration 762: trace = 2.451790898448133 (9.06261e-08% change)
large trace change predicted (2.66754e-07%)
linmin: converged after 2 iterations.
iteration 763: trace = 2.451790891907878 (2.66754e-07% change)
linmin: converged after 11 iterations.
iteration 764: trace = 2.451790884721091 (2.93124e-07% change)
linmin: converged after 7 iterations.
iteration 765: trace = 2.451790882029681 (1.09773e-07% change)
large trace change predicted (4.53892e-07%)
linmin: converged after 22 iterations.
iteration 766: trace = 2.451790870901434 (4.53882e-07% change)
linmin: converged after 3 iterations.
iteration 767: trace = 2.451790862651265 (3.36496e-07% change)
linmin: converged after 3 iterations.
iteration 768: trace = 2.451790859943585 (1.10437e-07% change)
linmin: converged after 9 iterations.
iteration 769: trace = 2.451790854622261 (2.17038e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 770: trace = 2.451790850736156 (1.58501e-07% change)
linmin: converged after 3 iterations.
iteration 771: trace = 2.451790848780821 (7.97513e-08% change)
large trace change predicted (2.8187e-07%)
linmin: converged after 2 iterations.
iteration 772: trace = 2.451790841869923 (2.81871e-07% change)
linmin: converged after 24 iterations.
iteration 773: trace = 2.45179083449406 (3.00836e-07% change)
linmin: converged after 3 iterations.
iteration 774: trace = 2.451790830224255 (1.7415e-07% change)
large trace change predicted (3.49862e-07%)
linmin: converged after 2 iterations.
iteration 775: trace = 2.451790821646288 (3.49865e-07% change)
linmin: converged after 3 iterations.
iteration 776: trace = 2.451790817590084 (1.65438e-07% change)
linmin: converged after 5 iterations.
iteration 777: trace = 2.451790812697268 (1.99561e-07% change)
linmin: converged after 3 iterations.
iteration 778: trace = 2.451790804441738 (3.36714e-07% change)
linmin: converged after 5 iterations.
iteration 779: trace = 2.451790799474577 (2.02593e-07% change)
linmin: converged after 2 iterations.
iteration 780: trace = 2.451790793746871 (2.33613e-07% change)
large trace change predicted (7.06209e-07%)
linmin: converged after 10 iterations.
iteration 781: trace = 2.451790776431223 (7.06245e-07% change)
linmin: converged after 9 iterations.
iteration 782: trace = 2.451790763844448 (5.13371e-07% change)
linmin: converged after 4 iterations.
iteration 783: trace = 2.451790754432425 (3.83884e-07% change)
large trace change predicted (8.1418e-07%)
linmin: converged after 4 iterations.
iteration 784: trace = 2.451790734469889 (8.14202e-07% change)
linmin: converged after 6 iterations.
iteration 785: trace = 2.451790725902935 (3.49416e-07% change)
large trace change predicted (7.13664e-07%)
linmin: converged after 22 iterations.
iteration 786: trace = 2.451790708405207 (7.13671e-07% change)
linmin: converged after 2 iterations.
iteration 787: trace = 2.451790688069498 (8.29423e-07% change)
linmin: converged after 13 iterations.
iteration 788: trace = 2.451790676621194 (4.66936e-07% change)
linmin: converged after 19 iterations.
iteration 789: trace = 2.451790666951052 (3.94411e-07% change)
linmin: converged after 7 iterations.
iteration 790: trace = 2.45179065530475 (4.75012e-07% change)
linmin: converged after 9 iterations.
iteration 791: trace = 2.451790645464281 (4.01358e-07% change)
linmin: converged after 3 iterations.
iteration 792: trace = 2.451790640268372 (2.11923e-07% change)
large trace change predicted (4.37856e-07%)
linmin: converged after 3 iterations.
iteration 793: trace = 2.451790629532549 (4.37877e-07% change)
linmin: converged after 6 iterations.
iteration 794: trace = 2.451790625486887 (1.65008e-07% change)
linmin: converged after 7 iterations.
iteration 795: trace = 2.451790621763671 (1.51857e-07% change)
large trace change predicted (3.92591e-07%)
linmin: converged after 5 iterations.
iteration 796: trace = 2.451790612137841 (3.92604e-07% change)
linmin: converged after 3 iterations.
iteration 797: trace = 2.451790610497388 (6.69084e-08% change)
large trace change predicted (3.81881e-07%)
linmin: converged after 4 iterations.
iteration 798: trace = 2.451790601134438 (3.81882e-07% change)
linmin: converged after 10 iterations.
iteration 799: trace = 2.451790592150075 (3.66441e-07% change)
linmin: converged after 13 iterations.
iteration 800: trace = 2.451790580991582 (4.55116e-07% change)
linmin: converged after 4 iterations.
iteration 801: trace = 2.451790575201232 (2.36168e-07% change)
large trace change predicted (6.60894e-07%)
linmin: converged after 2 iterations.
iteration 802: trace = 2.451790558997469 (6.60895e-07% change)
linmin: converged after 4 iterations.
iteration 803: trace = 2.45179053723362 (8.87672e-07% change)
linmin: converged after 6 iterations.
iteration 804: trace = 2.451790529390748 (3.19883e-07% change)
large trace change predicted (1.39634e-06%)
linmin: converged after 4 iterations.
iteration 805: trace = 2.451790495160123 (1.39615e-06% change)
linmin: converged after 8 iterations.
iteration 806: trace = 2.451790481076751 (5.74412e-07% change)
linmin: converged after 3 iterations.
iteration 807: trace = 2.451790459563808 (8.77438e-07% change)
linmin: converged after 3 iterations.
iteration 808: trace = 2.451790446342061 (5.39269e-07% change)
linmin: converged after 4 iterations.
iteration 809: trace = 2.451790440342123 (2.44717e-07% change)
linmin: converged after 4 iterations.
iteration 810: trace = 2.451790435433245 (2.00216e-07% change)
linmin: converged after 3 iterations.
iteration 811: trace = 2.451790428497347 (2.82891e-07% change)
linmin: converged after 8 iterations.
iteration 812: trace = 2.451790426597656 (7.74818e-08% change)
large trace change predicted (2.46463e-07%)
linmin: converged after 4 iterations.
iteration 813: trace = 2.451790420554907 (2.46463e-07% change)
linmin: converged after 4 iterations.
iteration 814: trace = 2.451790415291416 (2.14679e-07% change)
linmin: converged after 3 iterations.
iteration 815: trace = 2.451790413150698 (8.73125e-08% change)
large trace change predicted (4.66979e-07%)
linmin: converged after 7 iterations.
iteration 816: trace = 2.451790401701011 (4.66993e-07% change)
linmin: converged after 3 iterations.
iteration 817: trace = 2.451790388313961 (5.46011e-07% change)
linmin: converged after 4 iterations.
iteration 818: trace = 2.451790382630603 (2.31804e-07% change)
large trace change predicted (5.34739e-07%)
linmin: converged after 11 iterations.
iteration 819: trace = 2.451790369519399 (5.3476e-07% change)
linmin: converged after 9 iterations.
iteration 820: trace = 2.451790348938323 (8.3943e-07% change)
linmin: converged after 6 iterations.
iteration 821: trace = 2.451790333163449 (6.43402e-07% change)
linmin: converged after 8 iterations.
iteration 822: trace = 2.45179032403559 (3.72294e-07% change)
large trace change predicted (7.81578e-07%)
linmin: converged after 14 iterations.
iteration 823: trace = 2.451790304871935 (7.81619e-07% change)
linmin: converged after 5 iterations.
iteration 824: trace = 2.451790295531658 (3.80957e-07% change)
linmin: converged after 2 iterations.
iteration 825: trace = 2.451790285744269 (3.99194e-07% change)
linmin: converged after 11 iterations.
iteration 826: trace = 2.451790272061595 (5.58069e-07% change)
linmin: converged after 6 iterations.
iteration 827: trace = 2.451790266942433 (2.08793e-07% change)
linmin: converged after 5 iterations.
iteration 828: trace = 2.451790258678502 (3.37057e-07% change)
linmin: converged after 3 iterations.
iteration 829: trace = 2.451790247271042 (4.65271e-07% change)
linmin: converged after 2 iterations.
iteration 830: trace = 2.451790244311814 (1.20697e-07% change)
large trace change predicted (3.56888e-07%)
linmin: converged after 3 iterations.
iteration 831: trace = 2.45179023556167 (3.56888e-07% change)
linmin: converged after 25 iterations.
iteration 832: trace = 2.45179022555658 (4.08073e-07% change)
linmin: converged after 7 iterations.
iteration 833: trace = 2.451790222941453 (1.06662e-07% change)
large trace change predicted (2.88187e-07%)
linmin: converged after 4 iterations.
iteration 834: trace = 2.451790215875715 (2.88187e-07% change)
large trace change predicted (6.82744e-07%)
linmin: converged after 3 iterations.
iteration 835: trace = 2.451790199135536 (6.82774e-07% change)
linmin: converged after 2 iterations.
iteration 836: trace = 2.451790194475009 (1.90087e-07% change)
large trace change predicted (8.45349e-07%)
linmin: converged after 3 iterations.
iteration 837: trace = 2.451790173748307 (8.4537e-07% change)
linmin: converged after 10 iterations.
iteration 838: trace = 2.45179015497831 (7.65563e-07% change)
linmin: converged after 16 iterations.
iteration 839: trace = 2.451790141766932 (5.38846e-07% change)
resetting CG direction...
linmin: converged after 10 iterations.
iteration 840: trace = 2.451790130652822 (4.53306e-07% change)
linmin: converged after 3 iterations.
iteration 841: trace = 2.451790117578799 (5.33244e-07% change)
linmin: converged after 3 iterations.
iteration 842: trace = 2.451790101719007 (6.46866e-07% change)
linmin: converged after 25 iterations.
iteration 843: trace = 2.451790097671424 (1.65087e-07% change)
large trace change predicted (5.1677e-07%)
linmin: converged after 3 iterations.
iteration 844: trace = 2.451790085002 (5.16742e-07% change)
linmin: converged after 5 iterations.
iteration 845: trace = 2.451790075364461 (3.93082e-07% change)
linmin: converged after 4 iterations.
iteration 846: trace = 2.451790072195899 (1.29235e-07% change)
large trace change predicted (4.12186e-07%)
linmin: converged after 3 iterations.
iteration 847: trace = 2.451790062090133 (4.12179e-07% change)
linmin: converged after 17 iterations.
iteration 848: trace = 2.451790058926191 (1.29046e-07% change)
large trace change predicted (2.63649e-07%)
linmin: converged after 5 iterations.
iteration 849: trace = 2.451790052462258 (2.63641e-07% change)
linmin: converged after 3 iterations.
iteration 850: trace = 2.451790046396517 (2.47401e-07% change)
linmin: converged after 8 iterations.
iteration 851: trace = 2.451790043367849 (1.23529e-07% change)
linmin: converged after 3 iterations.
iteration 852: trace = 2.451790039269316 (1.67165e-07% change)
large trace change predicted (3.34821e-07%)
linmin: converged after 7 iterations.
iteration 853: trace = 2.45179003106038 (3.34814e-07% change)
linmin: converged after 24 iterations.
iteration 854: trace = 2.451790024970796 (2.48373e-07% change)
linmin: converged after 5 iterations.
iteration 855: trace = 2.451790017007872 (3.2478e-07% change)
linmin: converged after 3 iterations.
iteration 856: trace = 2.451790004551986 (5.08032e-07% change)
linmin: converged after 4 iterations.
iteration 857: trace = 2.451790000272914 (1.74528e-07% change)
large trace change predicted (5.59857e-07%)
linmin: converged after 17 iterations.
iteration 858: trace = 2.451789986547154 (5.59826e-07% change)
linmin: converged after 5 iterations.
iteration 859: trace = 2.451789975362655 (4.56177e-07% change)
linmin: converged after 4 iterations.
iteration 860: trace = 2.451789968005178 (3.00086e-07% change)
linmin: converged after 4 iterations.
iteration 861: trace = 2.45178996537633 (1.07222e-07% change)
large trace change predicted (3.42951e-07%)
linmin: converged after 22 iterations.
iteration 862: trace = 2.451789956968089 (3.42943e-07% change)
linmin: converged after 3 iterations.
iteration 863: trace = 2.451789951005074 (2.43211e-07% change)
linmin: converged after 6 iterations.
iteration 864: trace = 2.451789948906951 (8.55751e-08% change)
linmin: converged after 4 iterations.
iteration 865: trace = 2.451789945675188 (1.31812e-07% change)
linmin: converged after 3 iterations.
iteration 866: trace = 2.451789943217673 (1.00233e-07% change)
linmin: converged after 3 iterations.
iteration 867: trace = 2.451789940823766 (9.76391e-08% change)
linmin: converged after 5 iterations.
iteration 868: trace = 2.451789938148882 (1.09099e-07% change)
linmin: converged after 7 iterations.
iteration 869: trace = 2.451789935455995 (1.09834e-07% change)
linmin: converged after 29 iterations.
iteration 870: trace = 2.451789933603409 (7.55606e-08% change)
large trace change predicted (2.08614e-07%)
linmin: converged after 16 iterations.
iteration 871: trace = 2.45178992848846 (2.08621e-07% change)
linmin: converged after 7 iterations.
iteration 872: trace = 2.451789920896306 (3.09658e-07% change)
linmin: converged after 3 iterations.
iteration 873: trace = 2.451789917419556 (1.41805e-07% change)
large trace change predicted (5.71054e-07%)
linmin: converged after 3 iterations.
iteration 874: trace = 2.45178990341708 (5.71112e-07% change)
linmin: converged after 3 iterations.
iteration 875: trace = 2.451789896518359 (2.81375e-07% change)
linmin: converged after 6 iterations.
iteration 876: trace = 2.451789889618854 (2.81407e-07% change)
linmin: converged after 2 iterations.
iteration 877: trace = 2.451789877036018 (5.1321e-07% change)
linmin: converged after 2 iterations.
iteration 878: trace = 2.451789870349878 (2.72704e-07% change)
linmin: converged after 4 iterations.
iteration 879: trace = 2.451789867664974 (1.09508e-07% change)
linmin: converged after 21 iterations.
iteration 880: trace = 2.451789864008951 (1.49116e-07% change)
linmin: converged after 3 iterations.
iteration 881: trace = 2.451789861036756 (1.21226e-07% change)
linmin: converged after 4 iterations.
iteration 882: trace = 2.451789860313866 (2.94842e-08% change)
large trace change predicted (1.22215e-07%)
linmin: converged after 4 iterations.
iteration 883: trace = 2.451789857317415 (1.22215e-07% change)
linmin: converged after 4 iterations.
iteration 884: trace = 2.451789855887223 (5.83326e-08% change)
linmin: converged after 2 iterations.
iteration 885: trace = 2.451789854389887 (6.10711e-08% change)
large trace change predicted (1.73986e-07%)
linmin: converged after 4 iterations.
iteration 886: trace = 2.45178985012418 (1.73983e-07% change)
linmin: converged after 19 iterations.
iteration 887: trace = 2.451789846931467 (1.3022e-07% change)
linmin: converged after 4 iterations.
iteration 888: trace = 2.451789844577092 (9.60267e-08% change)
linmin: converged after 3 iterations.
iteration 889: trace = 2.451789841005948 (1.45655e-07% change)
linmin: converged after 3 iterations.
iteration 890: trace = 2.451789836952724 (1.65317e-07% change)
linmin: converged after 4 iterations.
iteration 891: trace = 2.451789834899375 (8.3749e-08% change)
large trace change predicted (2.33956e-07%)
linmin: converged after 7 iterations.
iteration 892: trace = 2.45178982916333 (2.33953e-07% change)
linmin: converged after 10 iterations.
iteration 893: trace = 2.451789822425168 (2.74826e-07% change)
linmin: converged after 14 iterations.
iteration 894: trace = 2.451789820359948 (8.42332e-08% change)
large trace change predicted (2.40574e-07%)
linmin: converged after 11 iterations.
iteration 895: trace = 2.451789814461608 (2.40573e-07% change)
linmin: converged after 4 iterations.
iteration 896: trace = 2.451789809322398 (2.09611e-07% change)
linmin: converged after 3 iterations.
iteration 897: trace = 2.451789807034282 (9.33243e-08% change)
linmin: converged after 27 iterations.
iteration 898: trace = 2.4517898026986 (1.76837e-07% change)
linmin: converged after 4 iterations.
iteration 899: trace = 2.451789799312174 (1.38121e-07% change)
linmin: converged after 4 iterations.
iteration 900: trace = 2.451789798438976 (3.56147e-08% change)
large trace change predicted (1.16608e-07%)
linmin: converged after 11 iterations.
iteration 901: trace = 2.451789795580043 (1.16606e-07% change)
linmin: converged after 4 iterations.
iteration 902: trace = 2.45178979435659 (4.99004e-08% change)
linmin: converged after 4 iterations.
iteration 903: trace = 2.45178979329159 (4.34376e-08% change)
linmin: converged after 4 iterations.
iteration 904: trace = 2.451789791283026 (8.19224e-08% change)
linmin: converged after 3 iterations.
iteration 905: trace = 2.451789789747027 (6.2648e-08% change)
linmin: converged after 6 iterations.
iteration 906: trace = 2.45178978823559 (6.16463e-08% change)
linmin: converged after 8 iterations.
iteration 907: trace = 2.451789786422252 (7.39598e-08% change)
linmin: converged after 3 iterations.
iteration 908: trace = 2.451789785136507 (5.24411e-08% change)
linmin: converged after 3 iterations.
iteration 909: trace = 2.451789784398787 (3.0089e-08% change)
resetting CG direction...
linmin: converged after 33 iterations.
iteration 910: trace = 2.45178978372239 (2.75879e-08% change)
linmin: converged after 3 iterations.
iteration 911: trace = 2.451789782726463 (4.06204e-08% change)
linmin: converged after 3 iterations.
iteration 912: trace = 2.451789781212491 (6.17497e-08% change)
linmin: converged after 7 iterations.
iteration 913: trace = 2.451789779875948 (5.45129e-08% change)
linmin: converged after 4 iterations.
iteration 914: trace = 2.451789778625379 (5.10064e-08% change)
linmin: converged after 2 iterations.
iteration 915: trace = 2.451789776564825 (8.40429e-08% change)
linmin: converged after 4 iterations.
iteration 916: trace = 2.451789775371867 (4.86566e-08% change)
linmin: converged after 3 iterations.
iteration 917: trace = 2.451789774054313 (5.37384e-08% change)
large trace change predicted (1.1113e-07%)
linmin: converged after 3 iterations.
iteration 918: trace = 2.451789771329607 (1.11131e-07% change)
linmin: converged after 27 iterations.
iteration 919: trace = 2.451789770574177 (3.08114e-08% change)
large trace change predicted (9.94201e-08%)
linmin: converged after 8 iterations.
iteration 920: trace = 2.451789768136583 (9.9421e-08% change)
linmin: converged after 21 iterations.
iteration 921: trace = 2.451789765165151 (1.21194e-07% change)
linmin: converged after 5 iterations.
iteration 922: trace = 2.451789764039035 (4.59304e-08% change)
large trace change predicted (1.71542e-07%)
linmin: converged after 20 iterations.
iteration 923: trace = 2.451789759833119 (1.71545e-07% change)
linmin: converged after 4 iterations.
iteration 924: trace = 2.451789755064095 (1.94512e-07% change)
linmin: converged after 5 iterations.
iteration 925: trace = 2.451789753301272 (7.18994e-08% change)
large trace change predicted (2.41629e-07%)
linmin: converged after 3 iterations.
iteration 926: trace = 2.451789747377023 (2.4163e-07% change)
linmin: converged after 3 iterations.
iteration 927: trace = 2.451789743136205 (1.72968e-07% change)
linmin: converged after 4 iterations.
iteration 928: trace = 2.451789741484413 (6.73709e-08% change)
large trace change predicted (1.71697e-07%)
linmin: converged after 4 iterations.
iteration 929: trace = 2.451789737274729 (1.71698e-07% change)
linmin: converged after 10 iterations.
iteration 930: trace = 2.451789734450408 (1.15194e-07% change)
linmin: converged after 4 iterations.
iteration 931: trace = 2.451789733233363 (4.9639e-08% change)
large trace change predicted (1.07501e-07%)
linmin: converged after 3 iterations.
iteration 932: trace = 2.451789730597635 (1.07502e-07% change)
linmin: converged after 7 iterations.
iteration 933: trace = 2.451789727973979 (1.0701e-07% change)
linmin: converged after 4 iterations.
iteration 934: trace = 2.451789727193226 (3.18442e-08% change)
linmin: converged after 11 iterations.
iteration 935: trace = 2.451789725794567 (5.70465e-08% change)
linmin: converged after 3 iterations.
iteration 936: trace = 2.451789723405372 (9.7447e-08% change)
linmin: converged after 4 iterations.
iteration 937: trace = 2.451789722618933 (3.20761e-08% change)
large trace change predicted (7.73954e-08%)
linmin: converged after 3 iterations.
iteration 938: trace = 2.451789720721378 (7.73947e-08% change)
linmin: converged after 16 iterations.
iteration 939: trace = 2.451789718299249 (9.87903e-08% change)
linmin: converged after 4 iterations.
iteration 940: trace = 2.45178971719452 (4.5058e-08% change)
large trace change predicted (1.45787e-07%)
linmin: converged after 4 iterations.
iteration 941: trace = 2.451789713620216 (1.45783e-07% change)
linmin: converged after 4 iterations.
iteration 942: trace = 2.451789708394984 (2.13119e-07% change)
linmin: converged after 5 iterations.
iteration 943: trace = 2.451789704353748 (1.64828e-07% change)
linmin: converged after 3 iterations.
iteration 944: trace = 2.451789702342172 (8.20452e-08% change)
large trace change predicted (3.28493e-07%)
linmin: converged after 20 iterations.
iteration 945: trace = 2.451789694288807 (3.28469e-07% change)
linmin: converged after 11 iterations.
iteration 946: trace = 2.451789687656083 (2.70526e-07% change)
linmin: converged after 4 iterations.
iteration 947: trace = 2.451789685223355 (9.92225e-08% change)
linmin: converged after 3 iterations.
iteration 948: trace = 2.451789680907474 (1.7603e-07% change)
linmin: converged after 4 iterations.
iteration 949: trace = 2.451789678868922 (8.31455e-08% change)
linmin: converged after 4 iterations.
iteration 950: trace = 2.451789678173815 (2.8351e-08% change)
linmin: converged after 10 iterations.
iteration 951: trace = 2.451789676801328 (5.5979e-08% change)
linmin: converged after 4 iterations.
iteration 952: trace = 2.45178967541773 (5.64322e-08% change)
linmin: converged after 4 iterations.
iteration 953: trace = 2.45178967492127 (2.02489e-08% change)
large trace change predicted (5.11301e-08%)
linmin: converged after 4 iterations.
iteration 954: trace = 2.45178967366767 (5.113e-08% change)
large trace change predicted (1.05106e-07%)
linmin: converged after 19 iterations.
iteration 955: trace = 2.451789671090639 (1.05108e-07% change)
linmin: converged after 4 iterations.
iteration 956: trace = 2.451789670085494 (4.09964e-08% change)
large trace change predicted (1.68508e-07%)
linmin: converged after 5 iterations.
iteration 957: trace = 2.451789665953879 (1.68514e-07% change)
linmin: converged after 3 iterations.
iteration 958: trace = 2.451789663133067 (1.15051e-07% change)
linmin: converged after 23 iterations.
iteration 959: trace = 2.451789661467946 (6.79145e-08% change)
large trace change predicted (1.98625e-07%)
linmin: converged after 11 iterations.
iteration 960: trace = 2.451789656597763 (1.98638e-07% change)
linmin: converged after 22 iterations.
iteration 961: trace = 2.451789652026789 (1.86434e-07% change)
linmin: converged after 7 iterations.
iteration 962: trace = 2.451789650084212 (7.9231e-08% change)
large trace change predicted (1.94608e-07%)
linmin: converged after 5 iterations.
iteration 963: trace = 2.451789645312699 (1.94613e-07% change)
linmin: converged after 2 iterations.
iteration 964: trace = 2.451789642824902 (1.01469e-07% change)
linmin: converged after 4 iterations.
iteration 965: trace = 2.451789640346874 (1.0107e-07% change)
linmin: converged after 7 iterations.
iteration 966: trace = 2.451789637012786 (1.35986e-07% change)
linmin: converged after 4 iterations.
iteration 967: trace = 2.451789635615617 (5.69857e-08% change)
linmin: converged after 8 iterations.
iteration 968: trace = 2.451789633832326 (7.27343e-08% change)
linmin: converged after 3 iterations.
iteration 969: trace = 2.451789631345194 (1.01441e-07% change)
linmin: converged after 7 iterations.
iteration 970: trace = 2.451789628626759 (1.10876e-07% change)
linmin: converged after 5 iterations.
iteration 971: trace = 2.45178962806572 (2.28828e-08% change)
large trace change predicted (1.01899e-07%)
linmin: converged after 3 iterations.
iteration 972: trace = 2.45178962556734 (1.019e-07% change)
linmin: converged after 3 iterations.
iteration 973: trace = 2.451789624377636 (4.85239e-08% change)
linmin: converged after 4 iterations.
iteration 974: trace = 2.451789622558809 (7.41837e-08% change)
linmin: converged after 4 iterations.
iteration 975: trace = 2.4517896190195 (1.44356e-07% change)
linmin: converged after 6 iterations.
iteration 976: trace = 2.451789614337821 (1.90949e-07% change)
linmin: converged after 4 iterations.
iteration 977: trace = 2.451789612451773 (7.69254e-08% change)
large trace change predicted (1.92361e-07%)
linmin: converged after 10 iterations.
iteration 978: trace = 2.451789607735527 (1.92359e-07% change)
large trace change predicted (5.90753e-07%)
linmin: converged after 4 iterations.
iteration 979: trace = 2.451789593251029 (5.90773e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 980: trace = 2.451789585678058 (3.08875e-07% change)
linmin: converged after 10 iterations.
iteration 981: trace = 2.45178958142829 (1.73333e-07% change)
linmin: converged after 21 iterations.
iteration 982: trace = 2.451789579193533 (9.1148e-08% change)
linmin: converged after 7 iterations.
iteration 983: trace = 2.451789576710129 (1.01289e-07% change)
linmin: converged after 9 iterations.
iteration 984: trace = 2.451789571854989 (1.98024e-07% change)
linmin: converged after 4 iterations.
iteration 985: trace = 2.451789569994678 (7.58756e-08% change)
linmin: converged after 4 iterations.
iteration 986: trace = 2.451789568186286 (7.3758e-08% change)
linmin: converged after 3 iterations.
iteration 987: trace = 2.451789565693987 (1.01652e-07% change)
linmin: converged after 21 iterations.
iteration 988: trace = 2.451789565351379 (1.39738e-08% change)
large trace change predicted (5.4164e-08%)
linmin: converged after 6 iterations.
iteration 989: trace = 2.451789564023403 (5.41635e-08% change)
linmin: converged after 3 iterations.
iteration 990: trace = 2.451789562895927 (4.59859e-08% change)
linmin: converged after 3 iterations.
iteration 991: trace = 2.451789562012754 (3.60215e-08% change)
linmin: converged after 6 iterations.
iteration 992: trace = 2.45178956119363 (3.34093e-08% change)
large trace change predicted (1.02683e-07%)
linmin: converged after 5 iterations.
iteration 993: trace = 2.451789558676108 (1.02681e-07% change)
linmin: converged after 4 iterations.
iteration 994: trace = 2.451789557848725 (3.37461e-08% change)
large trace change predicted (9.42778e-08%)
linmin: converged after 9 iterations.
iteration 995: trace = 2.451789555537272 (9.42762e-08% change)
linmin: converged after 7 iterations.
iteration 996: trace = 2.45178955330259 (9.11449e-08% change)
linmin: converged after 6 iterations.
iteration 997: trace = 2.451789552371775 (3.79647e-08% change)
large trace change predicted (9.25579e-08%)
linmin: converged after 3 iterations.
iteration 998: trace = 2.45178955010249 (9.25563e-08% change)
linmin: converged after 18 iterations.
iteration 999: trace = 2.451789548159242 (7.92583e-08% change)
linmin: converged after 4 iterations.
iteration 1000: trace = 2.451789546746675 (5.76137e-08% change)
linmin: converged after 4 iterations.
iteration 1001: trace = 2.451789545196658 (6.32198e-08% change)
linmin: converged after 21 iterations.
iteration 1002: trace = 2.451789542106697 (1.26029e-07% change)
linmin: converged after 4 iterations.
iteration 1003: trace = 2.451789541684409 (1.72237e-08% change)
large trace change predicted (6.35029e-08%)
linmin: converged after 6 iterations.
iteration 1004: trace = 2.451789540127463 (6.35024e-08% change)
linmin: converged after 4 iterations.
iteration 1005: trace = 2.451789539327693 (3.26198e-08% change)
linmin: converged after 5 iterations.
iteration 1006: trace = 2.451789538984625 (1.39925e-08% change)
linmin: converged after 23 iterations.
iteration 1007: trace = 2.451789538315147 (2.73057e-08% change)
linmin: converged after 4 iterations.
iteration 1008: trace = 2.451789537595789 (2.93401e-08% change)
linmin: converged after 5 iterations.
iteration 1009: trace = 2.451789537373796 (9.05435e-09% change)
large trace change predicted (2.14582e-08%)
linmin: converged after 4 iterations.
iteration 1010: trace = 2.451789536847683 (2.14583e-08% change)
large trace change predicted (5.3587e-08%)
linmin: converged after 13 iterations.
iteration 1011: trace = 2.45178953553382 (5.35879e-08% change)
linmin: converged after 4 iterations.
iteration 1012: trace = 2.451789534473829 (4.32334e-08% change)
linmin: converged after 4 iterations.
iteration 1013: trace = 2.451789532694611 (7.25681e-08% change)
linmin: converged after 4 iterations.
iteration 1014: trace = 2.451789530314902 (9.70601e-08% change)
linmin: converged after 8 iterations.
iteration 1015: trace = 2.451789529110084 (4.91403e-08% change)
large trace change predicted (9.94358e-08%)
linmin: converged after 23 iterations.
iteration 1016: trace = 2.451789526672045 (9.94392e-08% change)
linmin: converged after 5 iterations.
iteration 1017: trace = 2.45178952391461 (1.12466e-07% change)
linmin: converged after 21 iterations.
iteration 1018: trace = 2.451789522857236 (4.31266e-08% change)
linmin: converged after 4 iterations.
iteration 1019: trace = 2.451789522061707 (3.24468e-08% change)
linmin: converged after 8 iterations.
iteration 1020: trace = 2.451789521192991 (3.54319e-08% change)
linmin: converged after 3 iterations.
iteration 1021: trace = 2.451789520608171 (2.38528e-08% change)
linmin: converged after 4 iterations.
iteration 1022: trace = 2.45178952020785 (1.63277e-08% change)
linmin: converged after 9 iterations.
iteration 1023: trace = 2.451789519633386 (2.34304e-08% change)
linmin: converged after 6 iterations.
iteration 1024: trace = 2.451789519118052 (2.10187e-08% change)
linmin: converged after 4 iterations.
iteration 1025: trace = 2.451789518781816 (1.37139e-08% change)
large trace change predicted (3.35776e-08%)
linmin: converged after 4 iterations.
iteration 1026: trace = 2.451789517958568 (3.35774e-08% change)
linmin: converged after 4 iterations.
iteration 1027: trace = 2.451789517439551 (2.11689e-08% change)
linmin: converged after 5 iterations.
iteration 1028: trace = 2.451789516938425 (2.04392e-08% change)
linmin: converged after 3 iterations.
iteration 1029: trace = 2.45178951636189 (2.35149e-08% change)
linmin: converged after 4 iterations.
iteration 1030: trace = 2.451789515625428 (3.00377e-08% change)
linmin: converged after 5 iterations.
iteration 1031: trace = 2.451789514847983 (3.17093e-08% change)
large trace change predicted (7.18198e-08%)
linmin: converged after 3 iterations.
iteration 1032: trace = 2.451789513087109 (7.182e-08% change)
linmin: converged after 7 iterations.
iteration 1033: trace = 2.451789512566876 (2.12185e-08% change)
linmin: converged after 15 iterations.
iteration 1034: trace = 2.451789511630865 (3.81767e-08% change)
linmin: converged after 2 iterations.
iteration 1035: trace = 2.451789510064173 (6.38999e-08% change)
linmin: converged after 4 iterations.
iteration 1036: trace = 2.451789509702204 (1.47634e-08% change)
large trace change predicted (4.24194e-08%)
linmin: converged after 6 iterations.
iteration 1037: trace = 2.451789508662174 (4.24192e-08% change)
linmin: converged after 28 iterations.
iteration 1038: trace = 2.451789507461098 (4.89877e-08% change)
linmin: converged after 4 iterations.
iteration 1039: trace = 2.451789506606025 (3.48755e-08% change)
linmin: converged after 18 iterations.
iteration 1040: trace = 2.451789506409705 (8.00722e-09% change)
large trace change predicted (3.02161e-08%)
linmin: converged after 4 iterations.
iteration 1041: trace = 2.451789505668874 (3.02159e-08% change)
linmin: converged after 13 iterations.
iteration 1042: trace = 2.451789505435705 (9.51014e-09% change)
linmin: converged after 2 iterations.
iteration 1043: trace = 2.451789505158259 (1.13161e-08% change)
linmin: converged after 3 iterations.
iteration 1044: trace = 2.451789504774739 (1.56425e-08% change)
linmin: converged after 20 iterations.
iteration 1045: trace = 2.451789504329974 (1.81404e-08% change)
linmin: converged after 4 iterations.
iteration 1046: trace = 2.451789504003197 (1.33281e-08% change)
linmin: converged after 2 iterations.
iteration 1047: trace = 2.451789503590501 (1.68324e-08% change)
linmin: converged after 4 iterations.
iteration 1048: trace = 2.451789503330634 (1.05991e-08% change)
linmin: converged after 28 iterations.
iteration 1049: trace = 2.451789503128339 (8.2509e-09% change)
resetting CG direction...
linmin: converged after 9 iterations.
iteration 1050: trace = 2.451789502962016 (6.78374e-09% change)
linmin: converged after 13 iterations.
iteration 1051: trace = 2.451789502784436 (7.24288e-09% change)
large trace change predicted (1.47416e-08%)
linmin: converged after 9 iterations.
iteration 1052: trace = 2.451789502423002 (1.47417e-08% change)
linmin: converged after 8 iterations.
iteration 1053: trace = 2.451789502164915 (1.05265e-08% change)
linmin: converged after 5 iterations.
iteration 1054: trace = 2.451789501825544 (1.38418e-08% change)
linmin: converged after 5 iterations.
iteration 1055: trace = 2.451789501411684 (1.68799e-08% change)
linmin: converged after 16 iterations.
iteration 1056: trace = 2.451789501173288 (9.72333e-09% change)
linmin: converged after 6 iterations.
iteration 1057: trace = 2.451789500828162 (1.40765e-08% change)
linmin: converged after 6 iterations.
iteration 1058: trace = 2.451789500177974 (2.65189e-08% change)
linmin: converged after 5 iterations.
iteration 1059: trace = 2.451789500037444 (5.73174e-09% change)
large trace change predicted (2.99825e-08%)
linmin: converged after 10 iterations.
iteration 1060: trace = 2.451789499302327 (2.99829e-08% change)
linmin: converged after 3 iterations.
iteration 1061: trace = 2.451789498557349 (3.03851e-08% change)
linmin: converged after 3 iterations.
iteration 1062: trace = 2.451789498039462 (2.11228e-08% change)
linmin: converged after 4 iterations.
iteration 1063: trace = 2.45178949738404 (2.67324e-08% change)
linmin: converged after 4 iterations.
iteration 1064: trace = 2.45178949622907 (4.71072e-08% change)
linmin: converged after 22 iterations.
iteration 1065: trace = 2.451789495305421 (3.76725e-08% change)
linmin: converged after 21 iterations.
iteration 1066: trace = 2.451789494721137 (2.38309e-08% change)
linmin: converged after 4 iterations.
iteration 1067: trace = 2.45178949360109 (4.56828e-08% change)
linmin: converged after 8 iterations.
iteration 1068: trace = 2.451789492856723 (3.03601e-08% change)
linmin: converged after 10 iterations.
iteration 1069: trace = 2.45178949229224 (2.30233e-08% change)
linmin: converged after 4 iterations.
iteration 1070: trace = 2.451789491797887 (2.01629e-08% change)
linmin: converged after 5 iterations.
iteration 1071: trace = 2.451789491365316 (1.76431e-08% change)
linmin: converged after 24 iterations.
iteration 1072: trace = 2.451789491118513 (1.00662e-08% change)
large trace change predicted (2.96234e-08%)
linmin: converged after 10 iterations.
iteration 1073: trace = 2.451789490392196 (2.96239e-08% change)
linmin: converged after 13 iterations.
iteration 1074: trace = 2.451789490292126 (4.08152e-09% change)
large trace change predicted (2.13499e-08%)
linmin: converged after 6 iterations.
iteration 1075: trace = 2.45178948976867 (2.135e-08% change)
linmin: converged after 4 iterations.
iteration 1076: trace = 2.451789489385334 (1.56349e-08% change)
linmin: converged after 6 iterations.
iteration 1077: trace = 2.451789489219977 (6.74434e-09% change)
large trace change predicted (1.81852e-08%)
linmin: converged after 25 iterations.
iteration 1078: trace = 2.451789488774115 (1.81852e-08% change)
linmin: converged after 4 iterations.
iteration 1079: trace = 2.451789488193018 (2.37009e-08% change)
linmin: converged after 4 iterations.
iteration 1080: trace = 2.451789487810412 (1.56052e-08% change)
linmin: converged after 25 iterations.
iteration 1081: trace = 2.451789487217555 (2.41806e-08% change)
large trace change predicted (5.80925e-08%)
linmin: converged after 5 iterations.
iteration 1082: trace = 2.451789485793301 (5.80904e-08% change)
linmin: converged after 3 iterations.
iteration 1083: trace = 2.451789484321333 (6.00365e-08% change)
linmin: converged after 3 iterations.
iteration 1084: trace = 2.451789483715688 (2.47022e-08% change)
large trace change predicted (5.20395e-08%)
linmin: converged after 4 iterations.
iteration 1085: trace = 2.451789482439815 (5.20384e-08% change)
linmin: converged after 17 iterations.
iteration 1086: trace = 2.451789480615766 (7.43967e-08% change)
linmin: converged after 23 iterations.
iteration 1087: trace = 2.451789480057849 (2.27555e-08% change)
linmin: converged after 3 iterations.
iteration 1088: trace = 2.451789479697598 (1.46934e-08% change)
linmin: converged after 4 iterations.
iteration 1089: trace = 2.451789479318219 (1.54735e-08% change)
linmin: converged after 7 iterations.
iteration 1090: trace = 2.451789479135877 (7.43712e-09% change)
linmin: converged after 3 iterations.
iteration 1091: trace = 2.451789478962792 (7.05951e-09% change)
large trace change predicted (1.42707e-08%)
linmin: converged after 4 iterations.
iteration 1092: trace = 2.451789478612902 (1.42708e-08% change)
linmin: converged after 15 iterations.
iteration 1093: trace = 2.451789478422191 (7.77848e-09% change)
linmin: converged after 34 iterations.
iteration 1094: trace = 2.451789478208868 (8.70069e-09% change)
large trace change predicted (3.48622e-08%)
linmin: converged after 5 iterations.
iteration 1095: trace = 2.451789477354111 (3.48626e-08% change)
linmin: converged after 7 iterations.
iteration 1096: trace = 2.451789477140853 (8.69805e-09% change)
large trace change predicted (4.79724e-08%)
linmin: converged after 4 iterations.
iteration 1097: trace = 2.451789475964652 (4.79732e-08% change)
linmin: converged after 10 iterations.
iteration 1098: trace = 2.451789475110714 (3.48292e-08% change)
linmin: converged after 9 iterations.
iteration 1099: trace = 2.451789474615168 (2.02116e-08% change)
linmin: converged after 15 iterations.
iteration 1100: trace = 2.451789474057113 (2.27611e-08% change)
linmin: converged after 2 iterations.
iteration 1101: trace = 2.451789472951869 (4.50791e-08% change)
linmin: converged after 3 iterations.
iteration 1102: trace = 2.451789472627342 (1.32363e-08% change)
large trace change predicted (4.17731e-08%)
linmin: converged after 4 iterations.
iteration 1103: trace = 2.451789471603143 (4.17735e-08% change)
linmin: converged after 6 iterations.
iteration 1104: trace = 2.451789470678366 (3.77185e-08% change)
linmin: converged after 23 iterations.
iteration 1105: trace = 2.451789470466405 (8.64518e-09% change)
large trace change predicted (3.40001e-08%)
linmin: converged after 4 iterations.
iteration 1106: trace = 2.451789469632787 (3.40004e-08% change)
linmin: converged after 4 iterations.
iteration 1107: trace = 2.451789469155216 (1.94785e-08% change)
linmin: converged after 18 iterations.
iteration 1108: trace = 2.451789468979577 (7.16369e-09% change)
large trace change predicted (1.51594e-08%)
linmin: converged after 12 iterations.
iteration 1109: trace = 2.451789468607901 (1.51594e-08% change)
linmin: converged after 7 iterations.
iteration 1110: trace = 2.451789468055926 (2.25131e-08% change)
linmin: converged after 3 iterations.
iteration 1111: trace = 2.451789467543086 (2.09169e-08% change)
linmin: converged after 5 iterations.
iteration 1112: trace = 2.451789467372647 (6.95164e-09% change)
large trace change predicted (3.2074e-08%)
linmin: converged after 3 iterations.
iteration 1113: trace = 2.451789466586261 (3.20739e-08% change)
linmin: converged after 3 iterations.
iteration 1114: trace = 2.451789466215636 (1.51165e-08% change)
linmin: converged after 16 iterations.
iteration 1115: trace = 2.451789465543267 (2.74236e-08% change)
large trace change predicted (5.78277e-08%)
linmin: converged after 4 iterations.
iteration 1116: trace = 2.451789464125439 (5.78283e-08% change)
linmin: converged after 6 iterations.
iteration 1117: trace = 2.451789463598613 (2.14874e-08% change)
linmin: converged after 2 iterations.
iteration 1118: trace = 2.451789462772691 (3.36865e-08% change)
large trace change predicted (2.24586e-07%)
linmin: converged after 16 iterations.
iteration 1119: trace = 2.4517894572662 (2.24591e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1120: trace = 2.451789454800628 (1.00562e-07% change)
linmin: converged after 4 iterations.
iteration 1121: trace = 2.451789453900319 (3.67205e-08% change)
linmin: converged after 3 iterations.
iteration 1122: trace = 2.451789453020805 (3.58724e-08% change)
linmin: converged after 6 iterations.
iteration 1123: trace = 2.451789451877852 (4.66171e-08% change)
linmin: converged after 3 iterations.
iteration 1124: trace = 2.451789451058146 (3.3433e-08% change)
linmin: converged after 23 iterations.
iteration 1125: trace = 2.451789450292417 (3.12314e-08% change)
linmin: converged after 28 iterations.
iteration 1126: trace = 2.451789449846724 (1.81783e-08% change)
linmin: converged after 4 iterations.
iteration 1127: trace = 2.451789449739992 (4.35323e-09% change)
large trace change predicted (1.71206e-08%)
linmin: converged after 20 iterations.
iteration 1128: trace = 2.451789449320231 (1.71206e-08% change)
linmin: converged after 5 iterations.
iteration 1129: trace = 2.451789449162853 (6.41887e-09% change)
linmin: converged after 5 iterations.
iteration 1130: trace = 2.451789448977824 (7.54669e-09% change)
linmin: converged after 19 iterations.
iteration 1131: trace = 2.451789448732061 (1.00239e-08% change)
linmin: converged after 5 iterations.
iteration 1132: trace = 2.451789448580512 (6.18114e-09% change)
linmin: converged after 9 iterations.
iteration 1133: trace = 2.451789448434489 (5.95576e-09% change)
large trace change predicted (1.70511e-08%)
linmin: converged after 4 iterations.
iteration 1134: trace = 2.451789448016434 (1.7051e-08% change)
linmin: converged after 4 iterations.
iteration 1135: trace = 2.451789447897852 (4.83657e-09% change)
large trace change predicted (2.00637e-08%)
linmin: converged after 4 iterations.
iteration 1136: trace = 2.451789447405936 (2.00635e-08% change)
linmin: converged after 3 iterations.
iteration 1137: trace = 2.451789446929933 (1.94145e-08% change)
linmin: converged after 4 iterations.
iteration 1138: trace = 2.451789446724038 (8.39776e-09% change)
linmin: converged after 4 iterations.
iteration 1139: trace = 2.451789446344243 (1.54905e-08% change)
linmin: converged after 9 iterations.
iteration 1140: trace = 2.45178944594209 (1.64024e-08% change)
linmin: converged after 17 iterations.
iteration 1141: trace = 2.451789445712825 (9.35093e-09% change)
linmin: converged after 4 iterations.
iteration 1142: trace = 2.451789445324603 (1.58342e-08% change)
linmin: converged after 4 iterations.
iteration 1143: trace = 2.451789444874431 (1.83609e-08% change)
linmin: converged after 4 iterations.
iteration 1144: trace = 2.451789444802293 (2.94227e-09% change)
large trace change predicted (1.74985e-08%)
linmin: converged after 5 iterations.
iteration 1145: trace = 2.451789444373273 (1.74983e-08% change)
linmin: converged after 14 iterations.
iteration 1146: trace = 2.451789444197008 (7.18921e-09% change)
linmin: converged after 5 iterations.
iteration 1147: trace = 2.451789443999578 (8.05251e-09% change)
linmin: converged after 17 iterations.
iteration 1148: trace = 2.451789443967304 (1.31635e-09% change)
large trace change predicted (3.92356e-09%)
linmin: converged after 17 iterations.
iteration 1149: trace = 2.451789443871107 (3.92352e-09% change)
linmin: converged after 12 iterations.
iteration 1150: trace = 2.451789443739499 (5.36784e-09% change)
linmin: converged after 4 iterations.
iteration 1151: trace = 2.451789443650296 (3.63828e-09% change)
linmin: converged after 4 iterations.
iteration 1152: trace = 2.451789443487256 (6.64987e-09% change)
large trace change predicted (1.54921e-08%)
linmin: converged after 16 iterations.
iteration 1153: trace = 2.451789443107419 (1.54922e-08% change)
linmin: converged after 6 iterations.
iteration 1154: trace = 2.451789442959 (6.05348e-09% change)
large trace change predicted (1.78009e-08%)
linmin: converged after 4 iterations.
iteration 1155: trace = 2.451789442522556 (1.78011e-08% change)
linmin: converged after 8 iterations.
iteration 1156: trace = 2.451789442034507 (1.99058e-08% change)
linmin: converged after 6 iterations.
iteration 1157: trace = 2.451789441869777 (6.71875e-09% change)
large trace change predicted (1.91735e-08%)
linmin: converged after 9 iterations.
iteration 1158: trace = 2.451789441399677 (1.91737e-08% change)
linmin: converged after 14 iterations.
iteration 1159: trace = 2.451789441022405 (1.53876e-08% change)
linmin: converged after 4 iterations.
iteration 1160: trace = 2.45178944093529 (3.55313e-09% change)
large trace change predicted (7.82666e-09%)
linmin: converged after 8 iterations.
iteration 1161: trace = 2.451789440743395 (7.82673e-09% change)
linmin: converged after 15 iterations.
iteration 1162: trace = 2.451789440575512 (6.84737e-09% change)
linmin: converged after 4 iterations.
iteration 1163: trace = 2.451789440533234 (1.72436e-09% change)
large trace change predicted (3.9798e-09%)
linmin: converged after 19 iterations.
iteration 1164: trace = 2.451789440435655 (3.9799e-09% change)
linmin: converged after 4 iterations.
iteration 1165: trace = 2.451789440316674 (4.85282e-09% change)
linmin: converged after 4 iterations.
iteration 1166: trace = 2.451789440273216 (1.77252e-09% change)
large trace change predicted (5.59232e-09%)
linmin: converged after 17 iterations.
iteration 1167: trace = 2.451789440136105 (5.59229e-09% change)
linmin: converged after 10 iterations.
iteration 1168: trace = 2.451789439956406 (7.3293e-09% change)
linmin: converged after 8 iterations.
iteration 1169: trace = 2.45178943988431 (2.94055e-09% change)
linmin: converged after 5 iterations.
iteration 1170: trace = 2.451789439783332 (4.11852e-09% change)
large trace change predicted (9.80716e-09%)
linmin: converged after 3 iterations.
iteration 1171: trace = 2.451789439542881 (9.80717e-09% change)
linmin: converged after 30 iterations.
iteration 1172: trace = 2.451789439491519 (2.09488e-09% change)
large trace change predicted (7.7296e-09%)
linmin: converged after 7 iterations.
iteration 1173: trace = 2.451789439302004 (7.72966e-09% change)
linmin: converged after 25 iterations.
iteration 1174: trace = 2.451789438979144 (1.31683e-08% change)
linmin: converged after 22 iterations.
iteration 1175: trace = 2.451789438861095 (4.81482e-09% change)
large trace change predicted (1.15483e-08%)
linmin: converged after 13 iterations.
iteration 1176: trace = 2.451789438577952 (1.15485e-08% change)
linmin: converged after 3 iterations.
iteration 1177: trace = 2.451789438316322 (1.0671e-08% change)
linmin: converged after 6 iterations.
iteration 1178: trace = 2.451789438158082 (6.45403e-09% change)
linmin: converged after 9 iterations.
iteration 1179: trace = 2.451789438091058 (2.7337e-09% change)
linmin: converged after 4 iterations.
iteration 1180: trace = 2.451789437960886 (5.30928e-09% change)
linmin: converged after 18 iterations.
iteration 1181: trace = 2.451789437810039 (6.15252e-09% change)
linmin: converged after 2 iterations.
iteration 1182: trace = 2.451789437784512 (1.04116e-09% change)
large trace change predicted (3.34086e-09%)
linmin: converged after 22 iterations.
iteration 1183: trace = 2.4517894377026 (3.34088e-09% change)
linmin: converged after 4 iterations.
iteration 1184: trace = 2.451789437626897 (3.08766e-09% change)
linmin: converged after 4 iterations.
iteration 1185: trace = 2.451789437594309 (1.32914e-09% change)
large trace change predicted (3.49077e-09%)
linmin: converged after 16 iterations.
iteration 1186: trace = 2.451789437508722 (3.4908e-09% change)
linmin: converged after 4 iterations.
iteration 1187: trace = 2.451789437423225 (3.48712e-09% change)
linmin: converged after 8 iterations.
iteration 1188: trace = 2.451789437381752 (1.69154e-09% change)
linmin: converged after 13 iterations.
iteration 1189: trace = 2.45178943733497 (1.9081e-09% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 1190: trace = 2.451789437298785 (1.47584e-09% change)
linmin: converged after 4 iterations.
iteration 1191: trace = 2.4517894372732 (1.04355e-09% change)
large trace change predicted (2.24058e-09%)
linmin: converged after 3 iterations.
iteration 1192: trace = 2.451789437218267 (2.24052e-09% change)
linmin: converged after 27 iterations.
iteration 1193: trace = 2.451789437180832 (1.52682e-09% change)
linmin: converged after 2 iterations.
iteration 1194: trace = 2.451789437115108 (2.68065e-09% change)
linmin: converged after 3 iterations.
iteration 1195: trace = 2.45178943702815 (3.54672e-09% change)
linmin: converged after 9 iterations.
iteration 1196: trace = 2.451789436981476 (1.90368e-09% change)
linmin: converged after 10 iterations.
iteration 1197: trace = 2.451789436907156 (3.03126e-09% change)
linmin: converged after 4 iterations.
iteration 1198: trace = 2.451789436782107 (5.10031e-09% change)
linmin: converged after 7 iterations.
iteration 1199: trace = 2.451789436754382 (1.1308e-09% change)
large trace change predicted (4.92148e-09%)
linmin: converged after 4 iterations.
iteration 1200: trace = 2.451789436633713 (4.9217e-09% change)
linmin: converged after 4 iterations.
iteration 1201: trace = 2.45178943651096 (5.00663e-09% change)
linmin: converged after 4 iterations.
iteration 1202: trace = 2.451789436451737 (2.41553e-09% change)
large trace change predicted (7.0607e-09%)
linmin: converged after 17 iterations.
iteration 1203: trace = 2.451789436278625 (7.06063e-09% change)
linmin: converged after 2 iterations.
iteration 1204: trace = 2.451789436022101 (1.04627e-08% change)
linmin: converged after 3 iterations.
iteration 1205: trace = 2.45178943583682 (7.55699e-09% change)
linmin: converged after 19 iterations.
iteration 1206: trace = 2.451789435709842 (5.17897e-09% change)
linmin: converged after 8 iterations.
iteration 1207: trace = 2.451789435513479 (8.00896e-09% change)
linmin: converged after 4 iterations.
iteration 1208: trace = 2.451789435382537 (5.34067e-09% change)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.451789435301188 (3.31795e-09% change)
linmin: converged after 7 iterations.
iteration 1210: trace = 2.451789435203965 (3.96541e-09% change)
linmin: converged after 4 iterations.
iteration 1211: trace = 2.451789435127112 (3.13456e-09% change)
linmin: converged after 4 iterations.
iteration 1212: trace = 2.451789435049508 (3.1652e-09% change)
linmin: converged after 32 iterations.
iteration 1213: trace = 2.451789434904809 (5.90177e-09% change)
linmin: converged after 15 iterations.
iteration 1214: trace = 2.451789434881218 (9.62173e-10% change)
large trace change predicted (3.17579e-09%)
linmin: converged after 4 iterations.
iteration 1215: trace = 2.451789434803358 (3.17567e-09% change)
linmin: converged after 4 iterations.
iteration 1216: trace = 2.451789434739968 (2.58545e-09% change)
linmin: converged after 21 iterations.
iteration 1217: trace = 2.451789434713268 (1.08898e-09% change)
large trace change predicted (4.89033e-09%)
linmin: converged after 2 iterations.
iteration 1218: trace = 2.451789434593366 (4.8904e-09% change)
linmin: converged after 3 iterations.
iteration 1219: trace = 2.45178943447074 (5.0015e-09% change)
linmin: converged after 24 iterations.
iteration 1220: trace = 2.451789434357741 (4.60882e-09% change)
linmin: converged after 11 iterations.
iteration 1221: trace = 2.451789434267978 (3.66113e-09% change)
large trace change predicted (1.03021e-08%)
linmin: converged after 4 iterations.
iteration 1222: trace = 2.451789434015397 (1.03019e-08% change)
linmin: converged after 4 iterations.
iteration 1223: trace = 2.451789433696972 (1.29874e-08% change)
linmin: converged after 17 iterations.
iteration 1224: trace = 2.451789433552949 (5.87422e-09% change)
linmin: converged after 18 iterations.
iteration 1225: trace = 2.451789433334862 (8.89501e-09% change)
linmin: converged after 16 iterations.
iteration 1226: trace = 2.451789433006891 (1.33768e-08% change)
linmin: converged after 19 iterations.
iteration 1227: trace = 2.451789432888533 (4.8274e-09% change)
linmin: converged after 5 iterations.
iteration 1228: trace = 2.451789432857472 (1.26685e-09% change)
linmin: converged after 5 iterations.
iteration 1229: trace = 2.451789432798414 (2.40878e-09% change)
linmin: converged after 9 iterations.
iteration 1230: trace = 2.451789432764895 (1.36714e-09% change)
linmin: converged after 11 iterations.
iteration 1231: trace = 2.451789432735394 (1.20322e-09% change)
large trace change predicted (3.08777e-09%)
linmin: converged after 7 iterations.
iteration 1232: trace = 2.45178943265969 (3.08774e-09% change)
linmin: converged after 15 iterations.
iteration 1233: trace = 2.45178943258334 (3.11405e-09% change)
linmin: converged after 22 iterations.
iteration 1234: trace = 2.451789432553883 (1.20144e-09% change)
large trace change predicted (6.79587e-09%)
linmin: converged after 28 iterations.
iteration 1235: trace = 2.451789432387259 (6.79602e-09% change)
linmin: converged after 31 iterations.
iteration 1236: trace = 2.451789432301247 (3.5081e-09% change)
linmin: converged after 4 iterations.
iteration 1237: trace = 2.451789432131185 (6.93625e-09% change)
linmin: converged after 24 iterations.
iteration 1238: trace = 2.451789431936088 (7.95732e-09% change)
linmin: converged after 2 iterations.
iteration 1239: trace = 2.451789431839116 (3.95516e-09% change)
linmin: converged after 2 iterations.
iteration 1240: trace = 2.451789431722921 (4.73921e-09% change)
linmin: converged after 14 iterations.
iteration 1241: trace = 2.451789431521154 (8.22938e-09% change)
linmin: converged after 15 iterations.
iteration 1242: trace = 2.451789431440544 (3.28777e-09% change)
linmin: converged after 5 iterations.
iteration 1243: trace = 2.45178943129167 (6.07208e-09% change)
linmin: converged after 4 iterations.
iteration 1244: trace = 2.451789431119233 (7.0331e-09% change)
linmin: converged after 18 iterations.
iteration 1245: trace = 2.45178943107434 (1.83101e-09% change)
large trace change predicted (5.58916e-09%)
linmin: converged after 6 iterations.
iteration 1246: trace = 2.451789430937306 (5.58918e-09% change)
linmin: converged after 22 iterations.
iteration 1247: trace = 2.451789430836432 (4.1143e-09% change)
linmin: converged after 5 iterations.
iteration 1248: trace = 2.451789430763661 (2.96805e-09% change)
linmin: converged after 7 iterations.
iteration 1249: trace = 2.451789430731146 (1.32619e-09% change)
large trace change predicted (3.85144e-09%)
linmin: converged after 6 iterations.
iteration 1250: trace = 2.451789430636717 (3.85143e-09% change)
linmin: converged after 7 iterations.
iteration 1251: trace = 2.451789430524508 (4.57663e-09% change)
linmin: converged after 4 iterations.
iteration 1252: trace = 2.45178943050049 (9.79616e-10% change)
large trace change predicted (5.12696e-09%)
linmin: converged after 7 iterations.
iteration 1253: trace = 2.451789430374786 (5.12703e-09% change)
linmin: converged after 9 iterations.
iteration 1254: trace = 2.451789430219521 (6.33271e-09% change)
linmin: converged after 24 iterations.
iteration 1255: trace = 2.451789430140737 (3.21331e-09% change)
large trace change predicted (1.58627e-08%)
linmin: converged after 2 iterations.
iteration 1256: trace = 2.45178942975182 (1.58626e-08% change)
linmin: converged after 16 iterations.
iteration 1257: trace = 2.451789429588243 (6.67173e-09% change)
linmin: converged after 3 iterations.
iteration 1258: trace = 2.451789429446933 (5.76353e-09% change)
large trace change predicted (2.40766e-08%)
linmin: converged after 7 iterations.
iteration 1259: trace = 2.451789428856623 (2.40767e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1260: trace = 2.451789428379108 (1.94762e-08% change)
linmin: converged after 24 iterations.
iteration 1261: trace = 2.451789428292885 (3.51674e-09% change)
linmin: converged after 21 iterations.
iteration 1262: trace = 2.451789428123229 (6.91969e-09% change)
linmin: converged after 3 iterations.
iteration 1263: trace = 2.451789427827525 (1.20607e-08% change)
linmin: converged after 4 iterations.
iteration 1264: trace = 2.451789427769957 (2.34799e-09% change)
large trace change predicted (5.20359e-09%)
linmin: converged after 20 iterations.
iteration 1265: trace = 2.451789427642376 (5.20357e-09% change)
linmin: converged after 3 iterations.
iteration 1266: trace = 2.451789427556736 (3.49296e-09% change)
linmin: converged after 4 iterations.
iteration 1267: trace = 2.451789427538553 (7.41649e-10% change)
large trace change predicted (3.0906e-09%)
linmin: converged after 6 iterations.
iteration 1268: trace = 2.45178942746278 (3.09053e-09% change)
linmin: converged after 4 iterations.
iteration 1269: trace = 2.451789427409696 (2.16508e-09% change)
linmin: converged after 10 iterations.
iteration 1270: trace = 2.451789427387325 (9.12435e-10% change)
linmin: converged after 22 iterations.
iteration 1271: trace = 2.451789427345755 (1.69551e-09% change)
linmin: converged after 19 iterations.
iteration 1272: trace = 2.451789427301454 (1.80687e-09% change)
linmin: converged after 7 iterations.
iteration 1273: trace = 2.451789427277019 (9.96642e-10% change)
large trace change predicted (3.61819e-09%)
linmin: converged after 25 iterations.
iteration 1274: trace = 2.451789427188312 (3.61804e-09% change)
linmin: converged after 6 iterations.
iteration 1275: trace = 2.451789427104732 (3.40895e-09% change)
linmin: converged after 12 iterations.
iteration 1276: trace = 2.451789427067474 (1.5196e-09% change)
large trace change predicted (3.7725e-09%)
linmin: converged after 30 iterations.
iteration 1277: trace = 2.451789426974981 (3.77247e-09% change)
linmin: converged after 19 iterations.
iteration 1278: trace = 2.451789426886685 (3.60131e-09% change)
linmin: converged after 18 iterations.
iteration 1279: trace = 2.451789426855997 (1.25163e-09% change)
large trace change predicted (3.21873e-09%)
linmin: converged after 23 iterations.
iteration 1280: trace = 2.451789426777082 (3.21869e-09% change)
linmin: converged after 4 iterations.
iteration 1281: trace = 2.451789426675311 (4.15087e-09% change)
linmin: converged after 9 iterations.
iteration 1282: trace = 2.451789426652206 (9.42394e-10% change)
large trace change predicted (4.15518e-09%)
linmin: converged after 4 iterations.
iteration 1283: trace = 2.451789426550331 (4.15513e-09% change)
linmin: converged after 19 iterations.
iteration 1284: trace = 2.451789426493461 (2.31953e-09% change)
linmin: converged after 4 iterations.
iteration 1285: trace = 2.451789426461265 (1.31315e-09% change)
linmin: converged after 6 iterations.
iteration 1286: trace = 2.451789426430333 (1.26162e-09% change)
linmin: converged after 16 iterations.
iteration 1287: trace = 2.451789426389659 (1.65894e-09% change)
linmin: converged after 12 iterations.
iteration 1288: trace = 2.451789426383331 (2.58126e-10% change)
large trace change predicted (8.90228e-10%)
linmin: converged after 7 iterations.
iteration 1289: trace = 2.451789426361502 (8.90301e-10% change)
linmin: converged after 16 iterations.
iteration 1290: trace = 2.451789426338924 (9.20876e-10% change)
linmin: converged after 2 iterations.
iteration 1291: trace = 2.45178942633073 (3.342e-10% change)
large trace change predicted (1.92757e-09%)
linmin: converged after 4 iterations.
iteration 1292: trace = 2.451789426283468 (1.92766e-09% change)
linmin: converged after 19 iterations.
iteration 1293: trace = 2.451789426194652 (3.6225e-09% change)
linmin: converged after 5 iterations.
iteration 1294: trace = 2.451789426103259 (3.72763e-09% change)
linmin: converged after 16 iterations.
iteration 1295: trace = 2.451789426067078 (1.47569e-09% change)
large trace change predicted (5.55816e-09%)
linmin: converged after 7 iterations.
iteration 1296: trace = 2.451789425930798 (5.55837e-09% change)
linmin: converged after 7 iterations.
iteration 1297: trace = 2.451789425838819 (3.75154e-09% change)
linmin: converged after 2 iterations.
iteration 1298: trace = 2.451789425817384 (8.74235e-10% change)
large trace change predicted (1.7951e-09%)
linmin: converged after 17 iterations.
iteration 1299: trace = 2.451789425773376 (1.79495e-09% change)
linmin: converged after 4 iterations.
iteration 1300: trace = 2.451789425736601 (1.49991e-09% change)
linmin: converged after 8 iterations.
iteration 1301: trace = 2.451789425721344 (6.22285e-10% change)
large trace change predicted (1.47483e-09%)
linmin: converged after 3 iterations.
iteration 1302: trace = 2.451789425685182 (1.47493e-09% change)
linmin: converged after 9 iterations.
iteration 1303: trace = 2.451789425662749 (9.14953e-10% change)
linmin: converged after 5 iterations.
iteration 1304: trace = 2.451789425643686 (7.77531e-10% change)
linmin: converged after 4 iterations.
iteration 1305: trace = 2.45178942563422 (3.86094e-10% change)
large trace change predicted (1.52913e-09%)
linmin: converged after 5 iterations.
iteration 1306: trace = 2.45178942559673 (1.52907e-09% change)
linmin: converged after 10 iterations.
iteration 1307: trace = 2.451789425586465 (4.18697e-10% change)
large trace change predicted (9.5648e-10%)
linmin: converged after 2 iterations.
iteration 1308: trace = 2.451789425563012 (9.5654e-10% change)
linmin: converged after 2 iterations.
iteration 1309: trace = 2.451789425534362 (1.16855e-09% change)
linmin: converged after 3 iterations.
iteration 1310: trace = 2.451789425524134 (4.17139e-10% change)
large trace change predicted (2.13933e-09%)
linmin: converged after 3 iterations.
iteration 1311: trace = 2.451789425471684 (2.13927e-09% change)
linmin: converged after 3 iterations.
iteration 1312: trace = 2.451789425431605 (1.63469e-09% change)
linmin: converged after 15 iterations.
iteration 1313: trace = 2.451789425410803 (8.48443e-10% change)
large trace change predicted (2.72865e-09%)
linmin: converged after 18 iterations.
iteration 1314: trace = 2.451789425343902 (2.72865e-09% change)
linmin: converged after 3 iterations.
iteration 1315: trace = 2.451789425283307 (2.47146e-09% change)
linmin: converged after 4 iterations.
iteration 1316: trace = 2.451789425267598 (6.40724e-10% change)
large trace change predicted (1.84938e-09%)
linmin: converged after 18 iterations.
iteration 1317: trace = 2.451789425222254 (1.84943e-09% change)
linmin: converged after 2 iterations.
iteration 1318: trace = 2.451789425189775 (1.3247e-09% change)
linmin: converged after 3 iterations.
iteration 1319: trace = 2.4517894251737 (6.55613e-10% change)
linmin: converged after 15 iterations.
iteration 1320: trace = 2.451789425154975 (7.63729e-10% change)
linmin: converged after 2 iterations.
iteration 1321: trace = 2.451789425126667 (1.1546e-09% change)
linmin: converged after 3 iterations.
iteration 1322: trace = 2.451789425108425 (7.4404e-10% change)
linmin: converged after 8 iterations.
iteration 1323: trace = 2.451789425098407 (4.08572e-10% change)
linmin: converged after 8 iterations.
iteration 1324: trace = 2.451789425084184 (5.80119e-10% change)
linmin: converged after 2 iterations.
iteration 1325: trace = 2.451789425063255 (8.53605e-10% change)
linmin: converged after 6 iterations.
iteration 1326: trace = 2.451789425056839 (2.61713e-10% change)
linmin: converged after 5 iterations.
iteration 1327: trace = 2.451789425047832 (3.67365e-10% change)
linmin: converged after 3 iterations.
iteration 1328: trace = 2.451789425036651 (4.56046e-10% change)
linmin: converged after 13 iterations.
iteration 1329: trace = 2.451789425031384 (2.14819e-10% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 1330: trace = 2.451789425026402 (2.03172e-10% change)
linmin: converged after 4 iterations.
iteration 1331: trace = 2.451789425016593 (4.00077e-10% change)
linmin: converged after 9 iterations.
iteration 1332: trace = 2.451789425010061 (2.6644e-10% change)
linmin: converged after 5 iterations.
iteration 1333: trace = 2.451789425002254 (3.18424e-10% change)
large trace change predicted (7.97431e-10%)
linmin: converged after 4 iterations.
iteration 1334: trace = 2.451789424982703 (7.97401e-10% change)
linmin: converged after 3 iterations.
iteration 1335: trace = 2.451789424972215 (4.27771e-10% change)
linmin: converged after 4 iterations.
iteration 1336: trace = 2.451789424958625 (5.54308e-10% change)
linmin: converged after 3 iterations.
iteration 1337: trace = 2.45178942494128 (7.07434e-10% change)
linmin: converged after 15 iterations.
iteration 1338: trace = 2.451789424926077 (6.20058e-10% change)
linmin: converged after 15 iterations.
iteration 1339: trace = 2.451789424912029 (5.72964e-10% change)
linmin: converged after 13 iterations.
iteration 1340: trace = 2.451789424884935 (1.10508e-09% change)
linmin: converged after 4 iterations.
iteration 1341: trace = 2.451789424872765 (4.96383e-10% change)
linmin: converged after 16 iterations.
iteration 1342: trace = 2.451789424848576 (9.86589e-10% change)
linmin: converged after 17 iterations.
iteration 1343: trace = 2.451789424808531 (1.63327e-09% change)
linmin: converged after 5 iterations.
iteration 1344: trace = 2.451789424772227 (1.48071e-09% change)
linmin: converged after 4 iterations.
iteration 1345: trace = 2.451789424748269 (9.77171e-10% change)
large trace change predicted (2.167e-09%)
linmin: converged after 2 iterations.
iteration 1346: trace = 2.451789424695141 (2.16691e-09% change)
linmin: converged after 7 iterations.
iteration 1347: trace = 2.451789424658118 (1.51003e-09% change)
linmin: converged after 3 iterations.
iteration 1348: trace = 2.451789424647823 (4.19892e-10% change)
large trace change predicted (1.61363e-09%)
linmin: converged after 17 iterations.
iteration 1349: trace = 2.451789424608258 (1.61373e-09% change)
linmin: converged after 2 iterations.
iteration 1350: trace = 2.451789424591985 (6.63728e-10% change)
linmin: converged after 3 iterations.
iteration 1351: trace = 2.451789424579163 (5.22973e-10% change)
linmin: converged after 4 iterations.
iteration 1352: trace = 2.451789424562327 (6.86677e-10% change)
linmin: converged after 21 iterations.
iteration 1353: trace = 2.451789424536434 (1.05607e-09% change)
linmin: converged after 4 iterations.
iteration 1354: trace = 2.45178942453202 (1.80024e-10% change)
large trace change predicted (7.29568e-10%)
linmin: converged after 14 iterations.
iteration 1355: trace = 2.451789424514134 (7.29514e-10% change)
linmin: converged after 22 iterations.
iteration 1356: trace = 2.451789424503403 (4.37697e-10% change)
linmin: converged after 12 iterations.
iteration 1357: trace = 2.451789424496385 (2.86238e-10% change)
large trace change predicted (1.01752e-09%)
linmin: converged after 2 iterations.
iteration 1358: trace = 2.451789424471436 (1.0176e-09% change)
linmin: converged after 2 iterations.
iteration 1359: trace = 2.451789424457727 (5.59108e-10% change)
linmin: converged after 4 iterations.
iteration 1360: trace = 2.451789424441401 (6.65901e-10% change)
large trace change predicted (1.5215e-09%)
linmin: converged after 20 iterations.
iteration 1361: trace = 2.4517894244041 (1.52139e-09% change)
linmin: converged after 16 iterations.
iteration 1362: trace = 2.451789424350351 (2.19222e-09% change)
linmin: converged after 22 iterations.
iteration 1363: trace = 2.451789424295335 (2.24393e-09% change)
linmin: converged after 6 iterations.
iteration 1364: trace = 2.451789424267806 (1.12278e-09% change)
linmin: converged after 3 iterations.
iteration 1365: trace = 2.451789424216301 (2.10075e-09% change)
linmin: converged after 24 iterations.
iteration 1366: trace = 2.451789424151033 (2.66203e-09% change)
linmin: converged after 5 iterations.
iteration 1367: trace = 2.451789424137584 (5.48548e-10% change)
linmin: converged after 10 iterations.
iteration 1368: trace = 2.451789424118441 (7.80773e-10% change)
linmin: converged after 14 iterations.
iteration 1369: trace = 2.451789424105455 (5.29656e-10% change)
linmin: converged after 3 iterations.
iteration 1370: trace = 2.451789424096591 (3.61551e-10% change)
linmin: converged after 15 iterations.
iteration 1371: trace = 2.451789424092687 (1.59212e-10% change)
large trace change predicted (5.1949e-10%)
linmin: converged after 3 iterations.
iteration 1372: trace = 2.45178942407995 (5.19495e-10% change)
linmin: converged after 4 iterations.
iteration 1373: trace = 2.451789424069264 (4.3585e-10% change)
linmin: converged after 12 iterations.
iteration 1374: trace = 2.451789424058148 (4.53383e-10% change)
large trace change predicted (1.53044e-09%)
linmin: converged after 25 iterations.
iteration 1375: trace = 2.451789424020625 (1.53043e-09% change)
linmin: converged after 4 iterations.
iteration 1376: trace = 2.451789424009109 (4.69685e-10% change)
large trace change predicted (1.6032e-09%)
linmin: converged after 4 iterations.
iteration 1377: trace = 2.451789423969804 (1.60313e-09% change)
linmin: converged after 4 iterations.
iteration 1378: trace = 2.451789423931909 (1.54561e-09% change)
linmin: converged after 4 iterations.
iteration 1379: trace = 2.451789423911547 (8.30511e-10% change)
linmin: converged after 4 iterations.
iteration 1380: trace = 2.451789423887948 (9.62499e-10% change)
linmin: converged after 7 iterations.
iteration 1381: trace = 2.451789423845258 (1.74119e-09% change)
linmin: converged after 3 iterations.
iteration 1382: trace = 2.451789423825225 (8.17053e-10% change)
linmin: converged after 4 iterations.
iteration 1383: trace = 2.451789423797294 (1.13921e-09% change)
linmin: converged after 4 iterations.
iteration 1384: trace = 2.451789423762372 (1.42438e-09% change)
linmin: converged after 4 iterations.
iteration 1385: trace = 2.451789423751556 (4.41139e-10% change)
large trace change predicted (9.92415e-10%)
linmin: converged after 11 iterations.
iteration 1386: trace = 2.451789423727223 (9.92458e-10% change)
linmin: converged after 3 iterations.
iteration 1387: trace = 2.451789423706326 (8.52319e-10% change)
linmin: converged after 15 iterations.
iteration 1388: trace = 2.45178942369586 (4.26866e-10% change)
linmin: converged after 13 iterations.
iteration 1389: trace = 2.451789423685949 (4.04225e-10% change)
linmin: converged after 16 iterations.
iteration 1390: trace = 2.451789423666368 (7.98668e-10% change)
linmin: converged after 2 iterations.
iteration 1391: trace = 2.451789423645899 (8.34858e-10% change)
linmin: converged after 7 iterations.
iteration 1392: trace = 2.451789423639723 (2.51877e-10% change)
large trace change predicted (1.12882e-09%)
linmin: converged after 3 iterations.
iteration 1393: trace = 2.451789423612047 (1.12883e-09% change)
linmin: converged after 5 iterations.
iteration 1394: trace = 2.451789423580614 (1.28203e-09% change)
linmin: converged after 9 iterations.
iteration 1395: trace = 2.451789423565915 (5.99518e-10% change)
large trace change predicted (3.14984e-09%)
linmin: converged after 2 iterations.
iteration 1396: trace = 2.451789423488688 (3.14983e-09% change)
linmin: converged after 9 iterations.
iteration 1397: trace = 2.451789423445791 (1.74961e-09% change)
linmin: converged after 16 iterations.
iteration 1398: trace = 2.451789423428728 (6.9595e-10% change)
large trace change predicted (4.55222e-09%)
linmin: converged after 18 iterations.
iteration 1399: trace = 2.451789423317114 (4.55234e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1400: trace = 2.45178942322682 (3.68278e-09% change)
linmin: converged after 18 iterations.
iteration 1401: trace = 2.451789423212356 (5.89954e-10% change)
large trace change predicted (1.63868e-09%)
linmin: converged after 3 iterations.
iteration 1402: trace = 2.45178942317218 (1.63862e-09% change)
linmin: converged after 3 iterations.
iteration 1403: trace = 2.45178942311541 (2.31544e-09% change)
linmin: converged after 7 iterations.
iteration 1404: trace = 2.451789423103856 (4.71279e-10% change)
large trace change predicted (1.0712e-09%)
linmin: converged after 2 iterations.
iteration 1405: trace = 2.451789423077589 (1.07132e-09% change)
linmin: converged after 6 iterations.
iteration 1406: trace = 2.451789423059963 (7.18899e-10% change)
linmin: converged after 3 iterations.
iteration 1407: trace = 2.451789423055987 (1.62164e-10% change)
large trace change predicted (5.94047e-10%)
linmin: converged after 3 iterations.
iteration 1408: trace = 2.451789423041421 (5.9412e-10% change)
linmin: converged after 21 iterations.
iteration 1409: trace = 2.451789423035884 (2.25813e-10% change)
linmin: converged after 4 iterations.
iteration 1410: trace = 2.451789423026342 (3.89209e-10% change)
linmin: converged after 9 iterations.
iteration 1411: trace = 2.451789423016263 (4.11089e-10% change)
linmin: converged after 4 iterations.
iteration 1412: trace = 2.451789423004644 (4.73869e-10% change)
linmin: converged after 3 iterations.
iteration 1413: trace = 2.451789422999864 (1.94967e-10% change)
large trace change predicted (6.2102e-10%)
linmin: converged after 10 iterations.
iteration 1414: trace = 2.451789422984635 (6.21144e-10% change)
linmin: converged after 24 iterations.
iteration 1415: trace = 2.451789422964539 (8.19661e-10% change)
linmin: converged after 3 iterations.
iteration 1416: trace = 2.451789422951064 (5.4958e-10% change)
linmin: converged after 2 iterations.
iteration 1417: trace = 2.45178942293871 (5.03882e-10% change)
linmin: converged after 17 iterations.
iteration 1418: trace = 2.451789422916927 (8.88454e-10% change)
linmin: converged after 12 iterations.
iteration 1419: trace = 2.451789422905359 (4.7184e-10% change)
linmin: converged after 6 iterations.
iteration 1420: trace = 2.451789422896341 (3.678e-10% change)
large trace change predicted (8.38613e-10%)
linmin: converged after 18 iterations.
iteration 1421: trace = 2.451789422875778 (8.38698e-10% change)
linmin: converged after 3 iterations.
iteration 1422: trace = 2.451789422867521 (3.36772e-10% change)
linmin: converged after 10 iterations.
iteration 1423: trace = 2.4517894228527 (6.04481e-10% change)
linmin: converged after 19 iterations.
iteration 1424: trace = 2.451789422834906 (7.25782e-10% change)
linmin: converged after 4 iterations.
iteration 1425: trace = 2.451789422830581 (1.76365e-10% change)
linmin: converged after 6 iterations.
iteration 1426: trace = 2.451789422826161 (1.80295e-10% change)
linmin: converged after 12 iterations.
iteration 1427: trace = 2.45178942281844 (3.1491e-10% change)
linmin: converged after 5 iterations.
iteration 1428: trace = 2.451789422816662 (7.25058e-11% change)
Finished solving for bands 1 to 10 after 1428 iterations.
tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287
elapsed time for k point: 12.640904664993286
solve_kpoint (0.5,0,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.528836134270658 (1.93409% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.510710810567917 (0.719324% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.494945478224396 (0.629901% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.491433619084531 (0.140858% change)
large trace change predicted (0.375525%)
linmin: converged after 9 iterations.
iteration 5: trace = 2.481386223449483 (0.404092% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.478821683400874 (0.103405% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.475784108910963 (0.122616% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.47342152895137 (0.0954731% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.472471533890234 (0.0384155% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.47106907132682 (0.0567392% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.470689308827395 (0.0153695% change)
large trace change predicted (0.0415688%)
linmin: converged after 4 iterations.
iteration 12: trace = 2.469653285759598 (0.0419413% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.469044058138818 (0.0246716% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.468577431161618 (0.0189009% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.467728655941253 (0.0343891% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.467452972912819 (0.0111722% change)
large trace change predicted (0.0408236%)
linmin: converged after 4 iterations.
iteration 17: trace = 2.466432198644252 (0.0413781% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.46614376303753 (0.0116951% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.465689780835783 (0.0184103% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.465064628931712 (0.0253573% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.464844088512526 (0.00894704% change)
large trace change predicted (0.0298107%)
linmin: converged after 4 iterations.
iteration 22: trace = 2.464107093730162 (0.0299047% change)
linmin: converged after 5 iterations.
iteration 23: trace = 2.463924821317125 (0.00739737% change)
large trace change predicted (0.0205069%)
linmin: converged after 3 iterations.
iteration 24: trace = 2.463417676466141 (0.0205849% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.462917918886174 (0.0202892% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.462692793520248 (0.00914101% change)
large trace change predicted (0.0279874%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.462009410704481 (0.0277533% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.461750459728039 (0.0105184% change)
large trace change predicted (0.0224555%)
linmin: converged after 4 iterations.
iteration 29: trace = 2.461203449306537 (0.0222229% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.460687241316449 (0.020976% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.460471967293356 (0.00874892% change)
large trace change predicted (0.0259488%)
linmin: converged after 4 iterations.
iteration 32: trace = 2.459845011813007 (0.0254844% change)
linmin: converged after 4 iterations.
iteration 33: trace = 2.459427659459783 (0.0169681% change)
linmin: converged after 4 iterations.
iteration 34: trace = 2.459157455079938 (0.0109871% change)
large trace change predicted (0.0241658%)
linmin: converged after 6 iterations.
iteration 35: trace = 2.458586709943367 (0.0232117% change)
linmin: converged after 3 iterations.
iteration 36: trace = 2.458222137346353 (0.0148296% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.45785999435421 (0.014733% change)
linmin: converged after 8 iterations.
iteration 38: trace = 2.457513632981111 (0.014093% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.457345367945684 (0.0068472% change)
linmin: converged after 5 iterations.
iteration 40: trace = 2.457030159100321 (0.012828% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.456936972282718 (0.00379273% change)
linmin: converged after 4 iterations.
iteration 42: trace = 2.456770588243581 (0.00677224% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.456644639654053 (0.00512672% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.456574678584251 (0.00284787% change)
large trace change predicted (0.00679001%)
linmin: converged after 4 iterations.
iteration 45: trace = 2.456409643090212 (0.00671834% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.456322083882434 (0.00356458% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.456237757309787 (0.0034331% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.456190236781592 (0.00193471% change)
large trace change predicted (0.00555275%)
linmin: converged after 4 iterations.
iteration 49: trace = 2.456054113877792 (0.00554219% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.456008216708386 (0.00186875% change)
large trace change predicted (0.00438811%)
linmin: converged after 4 iterations.
iteration 51: trace = 2.455900264779816 (0.00439552% change)
linmin: converged after 3 iterations.
iteration 52: trace = 2.455832002640181 (0.00277955% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.455712148285059 (0.00488052% change)
linmin: converged after 3 iterations.
iteration 54: trace = 2.45566480562526 (0.00192788% change)
large trace change predicted (0.00469265%)
linmin: converged after 3 iterations.
iteration 55: trace = 2.455549041362796 (0.00471428% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.455472533590854 (0.00311576% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.455355048982745 (0.00478472% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.455240128514053 (0.00468051% change)
linmin: converged after 3 iterations.
iteration 59: trace = 2.455056447621675 (0.00748146% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.454878655275191 (0.00724215% change)
linmin: converged after 3 iterations.
iteration 61: trace = 2.454746446845817 (0.00538568% change)
linmin: converged after 3 iterations.
iteration 62: trace = 2.454558467425849 (0.00765809% change)
linmin: converged after 3 iterations.
iteration 63: trace = 2.454455967076481 (0.00417601% change)
large trace change predicted (0.00930712%)
linmin: converged after 4 iterations.
iteration 64: trace = 2.454225787170495 (0.00937848% change)
linmin: converged after 3 iterations.
iteration 65: trace = 2.454124726566585 (0.0041179% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.45393768415976 (0.00762184% change)
linmin: converged after 5 iterations.
iteration 67: trace = 2.453808635086515 (0.005259% change)
linmin: converged after 6 iterations.
iteration 68: trace = 2.4536224657201 (0.00758724% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.453501999729609 (0.00490984% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 70: trace = 2.453442737777944 (0.00241543% change)
large trace change predicted (0.0062458%)
linmin: converged after 4 iterations.
iteration 71: trace = 2.453289568241044 (0.00624324% change)
linmin: converged after 4 iterations.
iteration 72: trace = 2.453139306423369 (0.0061251% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.453047313953293 (0.00375006% change)
large trace change predicted (0.00966974%)
linmin: converged after 4 iterations.
iteration 74: trace = 2.452810838247347 (0.00964054% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.452613248556677 (0.00805597% change)
linmin: converged after 6 iterations.
iteration 76: trace = 2.452556218941359 (0.00232529% change)
large trace change predicted (0.00551883%)
linmin: converged after 4 iterations.
iteration 77: trace = 2.452421478379425 (0.00549403% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.452337884184689 (0.0034087% change)
linmin: converged after 4 iterations.
iteration 79: trace = 2.452304255799918 (0.00137129% change)
large trace change predicted (0.00452288%)
linmin: converged after 4 iterations.
iteration 80: trace = 2.452193445071391 (0.00451874% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.452083136881207 (0.00449845% change)
linmin: converged after 7 iterations.
iteration 82: trace = 2.452049770136486 (0.00136076% change)
large trace change predicted (0.0042555%)
linmin: converged after 6 iterations.
iteration 83: trace = 2.451945081868034 (0.00426951% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.451875788529541 (0.0028261% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.451838601374629 (0.00151669% change)
large trace change predicted (0.00517262%)
linmin: converged after 3 iterations.
iteration 86: trace = 2.451711203848058 (0.00519613% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.451670300587416 (0.00166837% change)
linmin: converged after 3 iterations.
iteration 88: trace = 2.451615303884502 (0.00224326% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.451565394548157 (0.00203579% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.451542779719338 (0.000922469% change)
large trace change predicted (0.00192441%)
linmin: converged after 3 iterations.
iteration 91: trace = 2.451495500035742 (0.00192859% change)
linmin: converged after 3 iterations.
iteration 92: trace = 2.451437382440417 (0.00237073% change)
linmin: converged after 8 iterations.
iteration 93: trace = 2.451416418763382 (0.000855162% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.451379675107484 (0.00149889% change)
linmin: converged after 3 iterations.
iteration 95: trace = 2.451330789677618 (0.00199422% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.451319966066881 (0.000441541% change)
large trace change predicted (0.00157751%)
linmin: converged after 3 iterations.
iteration 97: trace = 2.451281182459109 (0.00158216% change)
linmin: converged after 3 iterations.
iteration 98: trace = 2.451251800497511 (0.00119864% change)
linmin: converged after 3 iterations.
iteration 99: trace = 2.451242344896484 (0.000385747% change)
large trace change predicted (0.00130213%)
linmin: converged after 3 iterations.
iteration 100: trace = 2.451210407991036 (0.00130289% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.451185124632041 (0.00103147% change)
linmin: converged after 5 iterations.
iteration 102: trace = 2.451169451345729 (0.000639419% change)
large trace change predicted (0.00233857%)
linmin: converged after 6 iterations.
iteration 103: trace = 2.451112170428599 (0.00233691% change)
linmin: converged after 4 iterations.
iteration 104: trace = 2.451069633666593 (0.00173542% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.45101419436472 (0.00226187% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.450936180186137 (0.00318299% change)
linmin: converged after 3 iterations.
iteration 107: trace = 2.450891384751166 (0.0018277% change)
linmin: converged after 4 iterations.
iteration 108: trace = 2.450830392263574 (0.00248861% change)
linmin: converged after 3 iterations.
iteration 109: trace = 2.450789550353348 (0.00166647% change)
linmin: converged after 5 iterations.
iteration 110: trace = 2.450776635805771 (0.000526956% change)
large trace change predicted (0.00118372%)
linmin: converged after 4 iterations.
iteration 111: trace = 2.450747619874162 (0.00118396% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.450708423724478 (0.00159937% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.450695634228722 (0.000521871% change)
large trace change predicted (0.00227149%)
linmin: converged after 3 iterations.
iteration 114: trace = 2.450639896131186 (0.0022744% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.450616660757847 (0.000948139% change)
linmin: converged after 4 iterations.
iteration 116: trace = 2.450596720659853 (0.00081368% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.450567520338584 (0.00119157% change)
linmin: converged after 5 iterations.
iteration 118: trace = 2.450559845694543 (0.000313179% change)
linmin: converged after 4 iterations.
iteration 119: trace = 2.450544542488024 (0.00062448% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.450517955683939 (0.00108494% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.450507948005563 (0.000408391% change)
large trace change predicted (0.00138501%)
linmin: converged after 6 iterations.
iteration 122: trace = 2.450474036353508 (0.00138387% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.450413225406624 (0.00248163% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.450399681485597 (0.000552721% change)
large trace change predicted (0.00263766%)
linmin: converged after 4 iterations.
iteration 125: trace = 2.450335181533825 (0.00263226% change)
linmin: converged after 5 iterations.
iteration 126: trace = 2.450316111935002 (0.000778248% change)
large trace change predicted (0.00253353%)
linmin: converged after 4 iterations.
iteration 127: trace = 2.450254091458041 (0.00253115% change)
linmin: converged after 3 iterations.
iteration 128: trace = 2.450208039654496 (0.00187949% change)
linmin: converged after 4 iterations.
iteration 129: trace = 2.450189708812981 (0.000748137% change)
large trace change predicted (0.0021763%)
linmin: converged after 4 iterations.
iteration 130: trace = 2.450136474059319 (0.0021727% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.450076349204774 (0.00245397% change)
linmin: converged after 4 iterations.
iteration 132: trace = 2.450058513417881 (0.000727971% change)
linmin: converged after 4 iterations.
iteration 133: trace = 2.450024248881852 (0.00139853% change)
linmin: converged after 6 iterations.
iteration 134: trace = 2.449978331020753 (0.0018742% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.449968683814162 (0.000393768% change)
large trace change predicted (0.00120393%)
linmin: converged after 4 iterations.
iteration 136: trace = 2.44993918183586 (0.00120419% change)
linmin: converged after 4 iterations.
iteration 137: trace = 2.44991956824943 (0.000800578% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.449912819881661 (0.000275453% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.449900501589036 (0.000502807% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.449894807456253 (0.000232423% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.44989218038971 (0.000107232% change)
large trace change predicted (0.000347579%)
linmin: converged after 4 iterations.
iteration 142: trace = 2.449883664285972 (0.000347612% change)
linmin: converged after 3 iterations.
iteration 143: trace = 2.449876668837769 (0.000285542% change)
linmin: converged after 4 iterations.
iteration 144: trace = 2.449872015836894 (0.000189928% change)
large trace change predicted (0.00069959%)
linmin: converged after 4 iterations.
iteration 145: trace = 2.449854848356567 (0.000700753% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.449848307803675 (0.000266978% change)
linmin: converged after 3 iterations.
iteration 147: trace = 2.449839702844577 (0.000351245% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.449826658581972 (0.000532455% change)
linmin: converged after 3 iterations.
iteration 149: trace = 2.449819979284587 (0.000272644% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.449813505447425 (0.000264258% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.449804579850275 (0.000364338% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.449797600286897 (0.000284903% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.44978969985222 (0.000322494% change)
linmin: converged after 3 iterations.
iteration 154: trace = 2.449775013132724 (0.000599511% change)
linmin: converged after 3 iterations.
iteration 155: trace = 2.449770908070022 (0.000167569% change)
large trace change predicted (0.000429085%)
linmin: converged after 3 iterations.
iteration 156: trace = 2.4497603962631 (0.000429094% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.449754428439246 (0.000243609% change)
linmin: converged after 9 iterations.
iteration 158: trace = 2.449751678654519 (0.000112247% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.449747900517055 (0.000154225% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.449743866276483 (0.00016468% change)
linmin: converged after 2 iterations.
iteration 161: trace = 2.449742696839385 (4.77371e-05% change)
large trace change predicted (0.000193751%)
linmin: converged after 3 iterations.
iteration 162: trace = 2.449737950163642 (0.000193762% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.449731593356187 (0.00025949% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.449729528942611 (8.4271e-05% change)
large trace change predicted (0.000360113%)
linmin: converged after 4 iterations.
iteration 165: trace = 2.449720701149677 (0.000360359% change)
linmin: converged after 4 iterations.
iteration 166: trace = 2.449713846129236 (0.000279829% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.449711540764405 (9.41076e-05% change)
large trace change predicted (0.000273551%)
linmin: converged after 3 iterations.
iteration 168: trace = 2.449704837156106 (0.000273649% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.449697310566911 (0.000307245% change)
linmin: converged after 3 iterations.
iteration 170: trace = 2.449695044519953 (9.25032e-05% change)
large trace change predicted (0.000343592%)
linmin: converged after 3 iterations.
iteration 171: trace = 2.449686617793979 (0.000343991% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.449677838280267 (0.000358394% change)
linmin: converged after 4 iterations.
iteration 173: trace = 2.449674403276298 (0.000140223% change)
large trace change predicted (0.000280535%)
linmin: converged after 5 iterations.
iteration 174: trace = 2.449667524592512 (0.0002808% change)
linmin: converged after 4 iterations.
iteration 175: trace = 2.449659843868781 (0.000313542% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.449657785869432 (8.40117e-05% change)
large trace change predicted (0.000240541%)
linmin: converged after 4 iterations.
iteration 177: trace = 2.449651893919608 (0.000240522% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.449647775934057 (0.000168105% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.449645788577494 (8.11283e-05% change)
large trace change predicted (0.000190697%)
linmin: converged after 4 iterations.
iteration 180: trace = 2.449641119065572 (0.00019062% change)
linmin: converged after 5 iterations.
iteration 181: trace = 2.449636565772971 (0.000185876% change)
linmin: converged after 4 iterations.
iteration 182: trace = 2.44963438518716 (8.90167e-05% change)
large trace change predicted (0.000269165%)
linmin: converged after 4 iterations.
iteration 183: trace = 2.449627808941738 (0.000268459% change)
linmin: converged after 5 iterations.
iteration 184: trace = 2.449623518946007 (0.000175129% change)
linmin: converged after 6 iterations.
iteration 185: trace = 2.449619990401048 (0.000144044% change)
large trace change predicted (0.000335612%)
linmin: converged after 4 iterations.
iteration 186: trace = 2.449611786240418 (0.000334916% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.449608182807687 (0.000147102% change)
linmin: converged after 3 iterations.
iteration 188: trace = 2.449605423969706 (0.000112624% change)
large trace change predicted (0.000303692%)
linmin: converged after 8 iterations.
iteration 189: trace = 2.449597989999981 (0.000303477% change)
linmin: converged after 4 iterations.
iteration 190: trace = 2.449593731575493 (0.000173842% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.449588319829075 (0.000220924% change)
large trace change predicted (0.000564295%)
linmin: converged after 3 iterations.
iteration 192: trace = 2.449574492403736 (0.000564481% change)
linmin: converged after 7 iterations.
iteration 193: trace = 2.44957168133793 (0.000114757% change)
large trace change predicted (0.000469169%)
linmin: converged after 3 iterations.
iteration 194: trace = 2.44956017309008 (0.000469808% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.449553382156658 (0.000277231% change)
linmin: converged after 3 iterations.
iteration 196: trace = 2.449550713519895 (0.000108944% change)
linmin: converged after 5 iterations.
iteration 197: trace = 2.449545924429994 (0.000195509% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.449540218602736 (0.000232934% change)
linmin: converged after 3 iterations.
iteration 199: trace = 2.449538417206486 (7.35402e-05% change)
large trace change predicted (0.000254779%)
linmin: converged after 3 iterations.
iteration 200: trace = 2.449532169436838 (0.000255059% change)
linmin: converged after 5 iterations.
iteration 201: trace = 2.449528067861914 (0.000167443% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.449524503640031 (0.000145507% change)
large trace change predicted (0.000362752%)
linmin: converged after 3 iterations.
iteration 203: trace = 2.449515610964782 (0.000363037% change)
linmin: converged after 3 iterations.
iteration 204: trace = 2.449507041026361 (0.000349863% change)
linmin: converged after 3 iterations.
iteration 205: trace = 2.449500347649236 (0.000273254% change)
linmin: converged after 3 iterations.
iteration 206: trace = 2.44949265562893 (0.000314025% change)
linmin: converged after 3 iterations.
iteration 207: trace = 2.449486583240246 (0.000247904% change)
linmin: converged after 6 iterations.
iteration 208: trace = 2.449478073971598 (0.00034739% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.449461103627731 (0.000692817% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.449458112690228 (0.000122106% change)
linmin: converged after 3 iterations.
iteration 211: trace = 2.449453772688644 (0.000177182% change)
linmin: converged after 4 iterations.
iteration 212: trace = 2.449448028949936 (0.000234491% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.449446164243894 (7.61276e-05% change)
large trace change predicted (0.000169819%)
linmin: converged after 3 iterations.
iteration 214: trace = 2.449442005059232 (0.000169801% change)
linmin: converged after 4 iterations.
iteration 215: trace = 2.44943687769927 (0.000209328% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.449435878329478 (4.08e-05% change)
large trace change predicted (0.000117212%)
linmin: converged after 3 iterations.
iteration 217: trace = 2.449433007876016 (0.000117188% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.449431278028424 (7.06224e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.449430729737943 (2.23844e-05% change)
large trace change predicted (7.94434e-05%)
linmin: converged after 3 iterations.
iteration 220: trace = 2.449428784156017 (7.943e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.449427093991445 (6.90024e-05% change)
linmin: converged after 5 iterations.
iteration 222: trace = 2.44942620850447 (3.61508e-05% change)
linmin: converged after 3 iterations.
iteration 223: trace = 2.449424545631271 (6.78883e-05% change)
linmin: converged after 4 iterations.
iteration 224: trace = 2.449422508885449 (8.3152e-05% change)
linmin: converged after 4 iterations.
iteration 225: trace = 2.449421379553375 (4.61061e-05% change)
large trace change predicted (0.000127276%)
linmin: converged after 3 iterations.
iteration 226: trace = 2.449418262715337 (0.000127248% change)
linmin: converged after 3 iterations.
iteration 227: trace = 2.449416362177955 (7.75914e-05% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.449415227517519 (4.63237e-05% change)
large trace change predicted (0.000127924%)
linmin: converged after 3 iterations.
iteration 229: trace = 2.449412093136151 (0.000127965% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.449410383381101 (6.98027e-05% change)
linmin: converged after 5 iterations.
iteration 231: trace = 2.449408557909533 (7.4527e-05% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.449406557521023 (8.16683e-05% change)
linmin: converged after 3 iterations.
iteration 233: trace = 2.449405121466212 (5.86287e-05% change)
linmin: converged after 4 iterations.
iteration 234: trace = 2.449404283427615 (3.4214e-05% change)
large trace change predicted (8.22352e-05%)
linmin: converged after 3 iterations.
iteration 235: trace = 2.449402267249879 (8.2313e-05% change)
linmin: converged after 3 iterations.
iteration 236: trace = 2.449400604098859 (6.79003e-05% change)
linmin: converged after 4 iterations.
iteration 237: trace = 2.449399711006797 (3.64617e-05% change)
linmin: converged after 3 iterations.
iteration 238: trace = 2.449398559350344 (4.70179e-05% change)
linmin: converged after 3 iterations.
iteration 239: trace = 2.449397676324221 (3.60507e-05% change)
linmin: converged after 2 iterations.
iteration 240: trace = 2.449397140248872 (2.1886e-05% change)
linmin: converged after 4 iterations.
iteration 241: trace = 2.449396141907888 (4.07586e-05% change)
linmin: converged after 4 iterations.
iteration 242: trace = 2.449395682477338 (1.87569e-05% change)
linmin: converged after 2 iterations.
iteration 243: trace = 2.449394822468462 (3.51111e-05% change)
linmin: converged after 5 iterations.
iteration 244: trace = 2.449393696944044 (4.59511e-05% change)
linmin: converged after 4 iterations.
iteration 245: trace = 2.44939297320229 (2.95478e-05% change)
linmin: converged after 3 iterations.
iteration 246: trace = 2.449391733958175 (5.05939e-05% change)
linmin: converged after 3 iterations.
iteration 247: trace = 2.449389699471952 (8.30609e-05% change)
linmin: converged after 3 iterations.
iteration 248: trace = 2.449389283936811 (1.69648e-05% change)
large trace change predicted (5.17013e-05%)
linmin: converged after 5 iterations.
iteration 249: trace = 2.449388017709373 (5.16957e-05% change)
linmin: converged after 3 iterations.
iteration 250: trace = 2.449386829212846 (4.85222e-05% change)
linmin: converged after 5 iterations.
iteration 251: trace = 2.449386452552643 (1.53777e-05% change)
large trace change predicted (8.24551e-05%)
linmin: converged after 3 iterations.
iteration 252: trace = 2.449384434064409 (8.24079e-05% change)
linmin: converged after 5 iterations.
iteration 253: trace = 2.449383219451633 (4.95885e-05% change)
linmin: converged after 5 iterations.
iteration 254: trace = 2.449382685119716 (2.1815e-05% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.449381793483696 (3.64025e-05% change)
linmin: converged after 4 iterations.
iteration 256: trace = 2.44938076716259 (4.19012e-05% change)
linmin: converged after 4 iterations.
iteration 257: trace = 2.449380244097084 (2.1355e-05% change)
large trace change predicted (4.27653e-05%)
linmin: converged after 18 iterations.
iteration 258: trace = 2.449379196604692 (4.27656e-05% change)
linmin: converged after 5 iterations.
iteration 259: trace = 2.449378424706657 (3.1514e-05% change)
linmin: converged after 4 iterations.
iteration 260: trace = 2.44937786277698 (2.29417e-05% change)
linmin: converged after 8 iterations.
iteration 261: trace = 2.449377057286336 (3.28855e-05% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.449376176118371 (3.59752e-05% change)
linmin: converged after 3 iterations.
iteration 263: trace = 2.449375556948499 (2.52787e-05% change)
large trace change predicted (6.35408e-05%)
linmin: converged after 3 iterations.
iteration 264: trace = 2.449374001064563 (6.35217e-05% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.44937332091431 (2.77683e-05% change)
linmin: converged after 3 iterations.
iteration 266: trace = 2.449371976692729 (5.48802e-05% change)
linmin: converged after 3 iterations.
iteration 267: trace = 2.449369845323015 (8.7017e-05% change)
linmin: converged after 5 iterations.
iteration 268: trace = 2.449369361660958 (1.97464e-05% change)
large trace change predicted (5.89099e-05%)
linmin: converged after 5 iterations.
iteration 269: trace = 2.449367919423626 (5.8882e-05% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.449366777428375 (4.66241e-05% change)
linmin: converged after 5 iterations.
iteration 271: trace = 2.44936642983688 (1.41911e-05% change)
linmin: converged after 3 iterations.
iteration 272: trace = 2.449365765809774 (2.71102e-05% change)
linmin: converged after 3 iterations.
iteration 273: trace = 2.449364508576624 (5.13289e-05% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.449364200448629 (1.25799e-05% change)
large trace change predicted (5.33552e-05%)
linmin: converged after 5 iterations.
iteration 275: trace = 2.449362893431199 (5.33615e-05% change)
linmin: converged after 4 iterations.
iteration 276: trace = 2.44936201234216 (3.59722e-05% change)
linmin: converged after 4 iterations.
iteration 277: trace = 2.449361775835222 (9.65586e-06% change)
large trace change predicted (3.25564e-05%)
linmin: converged after 4 iterations.
iteration 278: trace = 2.449360978372377 (3.2558e-05% change)
linmin: converged after 3 iterations.
iteration 279: trace = 2.449360489669767 (1.99523e-05% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 280: trace = 2.44936035885647 (5.34071e-06% change)
large trace change predicted (1.13115e-05%)
linmin: converged after 4 iterations.
iteration 281: trace = 2.449360081788123 (1.13119e-05% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.449359715255381 (1.49644e-05% change)
linmin: converged after 3 iterations.
iteration 283: trace = 2.44935946612994 (1.0171e-05% change)
large trace change predicted (2.89618e-05%)
linmin: converged after 3 iterations.
iteration 284: trace = 2.44935875664032 (2.89663e-05% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.44935780750131 (3.87505e-05% change)
linmin: converged after 3 iterations.
iteration 286: trace = 2.449357444958249 (1.48016e-05% change)
large trace change predicted (3.94878e-05%)
linmin: converged after 3 iterations.
iteration 287: trace = 2.449356477601795 (3.94943e-05% change)
linmin: converged after 5 iterations.
iteration 288: trace = 2.449356173267169 (1.24251e-05% change)
linmin: converged after 3 iterations.
iteration 289: trace = 2.449355809229161 (1.48626e-05% change)
large trace change predicted (3.10951e-05%)
linmin: converged after 4 iterations.
iteration 290: trace = 2.449355047525901 (3.10981e-05% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.449354291692601 (3.08585e-05% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.449353777418593 (2.09963e-05% change)
large trace change predicted (4.27282e-05%)
linmin: converged after 4 iterations.
iteration 293: trace = 2.449352730675097 (4.27355e-05% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.44935189967874 (3.39272e-05% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.449351602363635 (1.21385e-05% change)
large trace change predicted (3.70076e-05%)
linmin: converged after 4 iterations.
iteration 296: trace = 2.449350695758482 (3.70141e-05% change)
linmin: converged after 2 iterations.
iteration 297: trace = 2.449350445131554 (1.02324e-05% change)
linmin: converged after 4 iterations.
iteration 298: trace = 2.449349958064664 (1.98856e-05% change)
linmin: converged after 4 iterations.
iteration 299: trace = 2.449349570822366 (1.581e-05% change)
linmin: converged after 3 iterations.
iteration 300: trace = 2.449349258376479 (1.27563e-05% change)
linmin: converged after 3 iterations.
iteration 301: trace = 2.449348903416984 (1.4492e-05% change)
linmin: converged after 3 iterations.
iteration 302: trace = 2.44934828034559 (2.54382e-05% change)
linmin: converged after 3 iterations.
iteration 303: trace = 2.449348047013652 (9.52629e-06% change)
large trace change predicted (2.67784e-05%)
linmin: converged after 7 iterations.
iteration 304: trace = 2.449347391096997 (2.67792e-05% change)
linmin: converged after 5 iterations.
iteration 305: trace = 2.449346772318718 (2.5263e-05% change)
linmin: converged after 3 iterations.
iteration 306: trace = 2.449346251653882 (2.12573e-05% change)
linmin: converged after 4 iterations.
iteration 307: trace = 2.449345928796927 (1.31814e-05% change)
large trace change predicted (3.13854e-05%)
linmin: converged after 4 iterations.
iteration 308: trace = 2.449345159908831 (3.13916e-05% change)
linmin: converged after 3 iterations.
iteration 309: trace = 2.449344700007341 (1.87765e-05% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.449344461723959 (9.72845e-06% change)
large trace change predicted (2.59965e-05%)
linmin: converged after 3 iterations.
iteration 311: trace = 2.449343824905439 (2.59996e-05% change)
linmin: converged after 13 iterations.
iteration 312: trace = 2.449343407993338 (1.70214e-05% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.449342805493095 (2.45984e-05% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.44934203354582 (3.15165e-05% change)
linmin: converged after 3 iterations.
iteration 315: trace = 2.449341678730135 (1.44862e-05% change)
linmin: converged after 5 iterations.
iteration 316: trace = 2.44934140149551 (1.13187e-05% change)
large trace change predicted (2.43969e-05%)
linmin: converged after 6 iterations.
iteration 317: trace = 2.44934080397584 (2.43951e-05% change)
linmin: converged after 3 iterations.
iteration 318: trace = 2.449340702299089 (4.15119e-06% change)
large trace change predicted (1.53921e-05%)
linmin: converged after 6 iterations.
iteration 319: trace = 2.449340325357353 (1.53895e-05% change)
linmin: converged after 5 iterations.
iteration 320: trace = 2.449339981074667 (1.40561e-05% change)
linmin: converged after 8 iterations.
iteration 321: trace = 2.449339788744149 (7.85234e-06% change)
large trace change predicted (2.02789e-05%)
linmin: converged after 4 iterations.
iteration 322: trace = 2.449339292252254 (2.02704e-05% change)
linmin: converged after 7 iterations.
iteration 323: trace = 2.44933842160769 (3.55461e-05% change)
linmin: converged after 16 iterations.
iteration 324: trace = 2.449338186363222 (9.60441e-06% change)
large trace change predicted (1.98379e-05%)
linmin: converged after 3 iterations.
iteration 325: trace = 2.449337700681085 (1.98291e-05% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.449337031157789 (2.73349e-05% change)
linmin: converged after 2 iterations.
iteration 327: trace = 2.449336828199743 (8.28624e-06% change)
large trace change predicted (2.8027e-05%)
linmin: converged after 7 iterations.
iteration 328: trace = 2.449336141930802 (2.80186e-05% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.449335000529667 (4.66004e-05% change)
linmin: converged after 6 iterations.
iteration 330: trace = 2.449334697911085 (1.23551e-05% change)
large trace change predicted (4.78638e-05%)
linmin: converged after 4 iterations.
iteration 331: trace = 2.449333525369122 (4.78719e-05% change)
linmin: converged after 4 iterations.
iteration 332: trace = 2.449332696693291 (3.38327e-05% change)
linmin: converged after 3 iterations.
iteration 333: trace = 2.449332281081491 (1.69684e-05% change)
large trace change predicted (3.54123e-05%)
linmin: converged after 4 iterations.
iteration 334: trace = 2.449331413512703 (3.54206e-05% change)
linmin: converged after 4 iterations.
iteration 335: trace = 2.449330622941821 (3.2277e-05% change)
linmin: converged after 3 iterations.
iteration 336: trace = 2.449330428852425 (7.92418e-06% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.449330054764462 (1.52731e-05% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.449329577707699 (1.9477e-05% change)
linmin: converged after 12 iterations.
iteration 339: trace = 2.449329458124164 (4.8823e-06% change)
large trace change predicted (2.24194e-05%)
linmin: converged after 3 iterations.
iteration 340: trace = 2.449328908915495 (2.24228e-05% change)
linmin: converged after 4 iterations.
iteration 341: trace = 2.449328374324598 (2.1826e-05% change)
linmin: converged after 4 iterations.
iteration 342: trace = 2.449328131852412 (9.89954e-06% change)
linmin: converged after 3 iterations.
iteration 343: trace = 2.44932765071075 (1.96438e-05% change)
large trace change predicted (4.09563e-05%)
linmin: converged after 3 iterations.
iteration 344: trace = 2.449326647324357 (4.09658e-05% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.449326292401046 (1.44906e-05% change)
large trace change predicted (4.28457e-05%)
linmin: converged after 4 iterations.
iteration 346: trace = 2.449325242652457 (4.28587e-05% change)
linmin: converged after 4 iterations.
iteration 347: trace = 2.449324565108769 (2.76625e-05% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.449324247739938 (1.29574e-05% change)
large trace change predicted (6.52592e-05%)
linmin: converged after 3 iterations.
iteration 349: trace = 2.449322648755448 (6.52827e-05% change)
resetting CG direction...
linmin: converged after 10 iterations.
iteration 350: trace = 2.44932182330082 (3.37013e-05% change)
linmin: converged after 5 iterations.
iteration 351: trace = 2.449321538657195 (1.16213e-05% change)
large trace change predicted (2.70756e-05%)
linmin: converged after 10 iterations.
iteration 352: trace = 2.44932087548005 (2.7076e-05% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.449320415058727 (1.87979e-05% change)
linmin: converged after 2 iterations.
iteration 354: trace = 2.449320089926187 (1.32744e-05% change)
large trace change predicted (3.06443e-05%)
linmin: converged after 4 iterations.
iteration 355: trace = 2.449319339410571 (3.06418e-05% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.449319050758693 (1.1785e-05% change)
linmin: converged after 4 iterations.
iteration 357: trace = 2.449318841369459 (8.54888e-06% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.449318525134029 (1.29112e-05% change)
linmin: converged after 4 iterations.
iteration 359: trace = 2.449318339437406 (7.58156e-06% change)
linmin: converged after 5 iterations.
iteration 360: trace = 2.449318141226692 (8.09249e-06% change)
linmin: converged after 3 iterations.
iteration 361: trace = 2.44931787948778 (1.06862e-05% change)
linmin: converged after 5 iterations.
iteration 362: trace = 2.44931770640425 (7.0666e-06% change)
linmin: converged after 5 iterations.
iteration 363: trace = 2.449317560495567 (5.95712e-06% change)
large trace change predicted (1.60532e-05%)
linmin: converged after 5 iterations.
iteration 364: trace = 2.44931716739285 (1.60495e-05% change)
linmin: converged after 4 iterations.
iteration 365: trace = 2.449316941746309 (9.21263e-06% change)
linmin: converged after 3 iterations.
iteration 366: trace = 2.449316538167191 (1.64772e-05% change)
linmin: converged after 6 iterations.
iteration 367: trace = 2.449316176695425 (1.47581e-05% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.449315946222193 (9.4097e-06% change)
linmin: converged after 3 iterations.
iteration 369: trace = 2.449315506213344 (1.79646e-05% change)
linmin: converged after 10 iterations.
iteration 370: trace = 2.449314980645124 (2.14578e-05% change)
linmin: converged after 4 iterations.
iteration 371: trace = 2.449314813028352 (6.84341e-06% change)
large trace change predicted (1.37181e-05%)
linmin: converged after 3 iterations.
iteration 372: trace = 2.449314477003282 (1.37191e-05% change)
linmin: converged after 4 iterations.
iteration 373: trace = 2.449314086267051 (1.59529e-05% change)
linmin: converged after 3 iterations.
iteration 374: trace = 2.449313882630461 (8.31403e-06% change)
linmin: converged after 3 iterations.
iteration 375: trace = 2.449313638819782 (9.95424e-06% change)
linmin: converged after 4 iterations.
iteration 376: trace = 2.449313274468424 (1.48757e-05% change)
linmin: converged after 4 iterations.
iteration 377: trace = 2.449313158039814 (4.75352e-06% change)
linmin: converged after 3 iterations.
iteration 378: trace = 2.44931297582067 (7.4396e-06% change)
linmin: converged after 5 iterations.
iteration 379: trace = 2.44931280615865 (6.92692e-06% change)
linmin: converged after 4 iterations.
iteration 380: trace = 2.449312681184396 (5.10242e-06% change)
linmin: converged after 5 iterations.
iteration 381: trace = 2.4493126069395 (3.03125e-06% change)
large trace change predicted (6.83387e-06%)
linmin: converged after 2 iterations.
iteration 382: trace = 2.449312439554117 (6.83397e-06% change)
linmin: converged after 5 iterations.
iteration 383: trace = 2.449312362010223 (3.16595e-06% change)
linmin: converged after 7 iterations.
iteration 384: trace = 2.449312221693228 (5.72883e-06% change)
large trace change predicted (1.2079e-05%)
linmin: converged after 3 iterations.
iteration 385: trace = 2.449311925884899 (1.20772e-05% change)
linmin: converged after 3 iterations.
iteration 386: trace = 2.449311787177985 (5.6631e-06% change)
large trace change predicted (1.32399e-05%)
linmin: converged after 5 iterations.
iteration 387: trace = 2.449311462937392 (1.3238e-05% change)
linmin: converged after 3 iterations.
iteration 388: trace = 2.449311287172683 (7.17609e-06% change)
linmin: converged after 8 iterations.
iteration 389: trace = 2.449311185924481 (4.13374e-06% change)
large trace change predicted (9.60227e-06%)
linmin: converged after 5 iterations.
iteration 390: trace = 2.449310950783617 (9.60029e-06% change)
linmin: converged after 5 iterations.
iteration 391: trace = 2.449310640862508 (1.26534e-05% change)
linmin: converged after 7 iterations.
iteration 392: trace = 2.449310564375911 (3.12278e-06% change)
large trace change predicted (1.03205e-05%)
linmin: converged after 3 iterations.
iteration 393: trace = 2.449310311632106 (1.0319e-05% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.449310112374825 (8.13524e-06% change)
linmin: converged after 3 iterations.
iteration 395: trace = 2.449310036078187 (3.11503e-06% change)
large trace change predicted (8.76138e-06%)
linmin: converged after 4 iterations.
iteration 396: trace = 2.449309821484943 (8.76138e-06% change)
linmin: converged after 5 iterations.
iteration 397: trace = 2.449309636933419 (7.53484e-06% change)
linmin: converged after 3 iterations.
iteration 398: trace = 2.449309582587313 (2.21883e-06% change)
large trace change predicted (7.83039e-06%)
linmin: converged after 5 iterations.
iteration 399: trace = 2.449309390799596 (7.83028e-06% change)
linmin: converged after 5 iterations.
iteration 400: trace = 2.449309275333445 (4.71423e-06% change)
linmin: converged after 23 iterations.
iteration 401: trace = 2.449309223830472 (2.10276e-06% change)
large trace change predicted (8.60694e-06%)
linmin: converged after 6 iterations.
iteration 402: trace = 2.449309013034717 (8.60634e-06% change)
linmin: converged after 5 iterations.
iteration 403: trace = 2.449308868186215 (5.91385e-06% change)
linmin: converged after 3 iterations.
iteration 404: trace = 2.449308722834678 (5.93439e-06% change)
linmin: converged after 9 iterations.
iteration 405: trace = 2.449308522941983 (8.16119e-06% change)
linmin: converged after 4 iterations.
iteration 406: trace = 2.449308287529242 (9.6114e-06% change)
linmin: converged after 11 iterations.
iteration 407: trace = 2.449308225446371 (2.53471e-06% change)
large trace change predicted (9.59192e-06%)
linmin: converged after 5 iterations.
iteration 408: trace = 2.449307990533196 (9.591e-06% change)
linmin: converged after 2 iterations.
iteration 409: trace = 2.44930786039872 (5.31311e-06% change)
linmin: converged after 5 iterations.
iteration 410: trace = 2.449307776754267 (3.41502e-06% change)
linmin: converged after 4 iterations.
iteration 411: trace = 2.44930766019738 (4.75877e-06% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.449307480245329 (7.34706e-06% change)
linmin: converged after 7 iterations.
iteration 413: trace = 2.44930741895273 (2.50245e-06% change)
large trace change predicted (7.13145e-06%)
linmin: converged after 5 iterations.
iteration 414: trace = 2.449307244315649 (7.13006e-06% change)
linmin: converged after 3 iterations.
iteration 415: trace = 2.449307130174472 (4.66014e-06% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.449307041358999 (3.62615e-06% change)
linmin: converged after 6 iterations.
iteration 417: trace = 2.449306907042652 (5.48385e-06% change)
linmin: converged after 7 iterations.
iteration 418: trace = 2.449306846411126 (2.47546e-06% change)
linmin: converged after 4 iterations.
iteration 419: trace = 2.449306816804892 (1.20876e-06% change)
resetting CG direction...
linmin: converged after 15 iterations.
iteration 420: trace = 2.449306792418263 (9.95654e-07% change)
linmin: converged after 5 iterations.
iteration 421: trace = 2.449306755408211 (1.51104e-06% change)
large trace change predicted (3.63985e-06%)
linmin: converged after 6 iterations.
iteration 422: trace = 2.449306666252821 (3.64003e-06% change)
linmin: converged after 4 iterations.
iteration 423: trace = 2.449306602136914 (2.61772e-06% change)
linmin: converged after 3 iterations.
iteration 424: trace = 2.449306519641126 (3.36813e-06% change)
large trace change predicted (8.18725e-06%)
linmin: converged after 4 iterations.
iteration 425: trace = 2.44930631908724 (8.18819e-06% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.449306271600339 (1.93879e-06% change)
large trace change predicted (5.88032e-06%)
linmin: converged after 5 iterations.
iteration 427: trace = 2.449306127565736 (5.88063e-06% change)
linmin: converged after 3 iterations.
iteration 428: trace = 2.449306027614528 (4.0808e-06% change)
linmin: converged after 5 iterations.
iteration 429: trace = 2.449305994655025 (1.34567e-06% change)
large trace change predicted (6.4049e-06%)
linmin: converged after 4 iterations.
iteration 430: trace = 2.449305837770847 (6.40525e-06% change)
linmin: converged after 2 iterations.
iteration 431: trace = 2.449305705704582 (5.39199e-06% change)
linmin: converged after 3 iterations.
iteration 432: trace = 2.449305638951834 (2.72537e-06% change)
large trace change predicted (6.01762e-06%)
linmin: converged after 3 iterations.
iteration 433: trace = 2.449305491556085 (6.01786e-06% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.449305313775604 (7.2584e-06% change)
linmin: converged after 3 iterations.
iteration 435: trace = 2.449305256364343 (2.34398e-06% change)
large trace change predicted (7.67122e-06%)
linmin: converged after 3 iterations.
iteration 436: trace = 2.449305068459433 (7.67176e-06% change)
linmin: converged after 2 iterations.
iteration 437: trace = 2.449304958419962 (4.49268e-06% change)
linmin: converged after 3 iterations.
iteration 438: trace = 2.449304917886444 (1.6549e-06% change)
large trace change predicted (3.31934e-06%)
linmin: converged after 4 iterations.
iteration 439: trace = 2.449304836582585 (3.31947e-06% change)
linmin: converged after 4 iterations.
iteration 440: trace = 2.449304711689658 (5.09912e-06% change)
linmin: converged after 2 iterations.
iteration 441: trace = 2.449304680326612 (1.28049e-06% change)
large trace change predicted (4.22057e-06%)
linmin: converged after 4 iterations.
iteration 442: trace = 2.449304576941234 (4.22101e-06% change)
linmin: converged after 3 iterations.
iteration 443: trace = 2.449304431279818 (5.94705e-06% change)
linmin: converged after 8 iterations.
iteration 444: trace = 2.449304383313033 (1.95838e-06% change)
large trace change predicted (5.30008e-06%)
linmin: converged after 3 iterations.
iteration 445: trace = 2.449304253483403 (5.30067e-06% change)
linmin: converged after 4 iterations.
iteration 446: trace = 2.449304095098798 (6.46651e-06% change)
linmin: converged after 8 iterations.
iteration 447: trace = 2.449304053698725 (1.69028e-06% change)
large trace change predicted (5.97949e-06%)
linmin: converged after 5 iterations.
iteration 448: trace = 2.449303907232898 (5.9799e-06% change)
linmin: converged after 3 iterations.
iteration 449: trace = 2.449303797535602 (4.47871e-06% change)
linmin: converged after 3 iterations.
iteration 450: trace = 2.44930373621516 (2.50359e-06% change)
linmin: converged after 4 iterations.
iteration 451: trace = 2.449303618741786 (4.79619e-06% change)
linmin: converged after 3 iterations.
iteration 452: trace = 2.449303439229621 (7.32911e-06% change)
linmin: converged after 5 iterations.
iteration 453: trace = 2.449303394965906 (1.8072e-06% change)
large trace change predicted (6.12269e-06%)
linmin: converged after 6 iterations.
iteration 454: trace = 2.449303244997532 (6.1229e-06% change)
linmin: converged after 18 iterations.
iteration 455: trace = 2.449303125429011 (4.88174e-06% change)
linmin: converged after 9 iterations.
iteration 456: trace = 2.449303093838604 (1.28977e-06% change)
large trace change predicted (4.80821e-06%)
linmin: converged after 4 iterations.
iteration 457: trace = 2.449302976074831 (4.80805e-06% change)
linmin: converged after 4 iterations.
iteration 458: trace = 2.449302933680515 (1.73087e-06% change)
linmin: converged after 7 iterations.
iteration 459: trace = 2.449302901682854 (1.3064e-06% change)
large trace change predicted (3.03674e-06%)
linmin: converged after 3 iterations.
iteration 460: trace = 2.449302827309876 (3.0365e-06% change)
linmin: converged after 6 iterations.
iteration 461: trace = 2.449302741682878 (3.49597e-06% change)
linmin: converged after 8 iterations.
iteration 462: trace = 2.449302678294404 (2.58802e-06% change)
large trace change predicted (7.1125e-06%)
linmin: converged after 4 iterations.
iteration 463: trace = 2.449302504151457 (7.1099e-06% change)
linmin: converged after 4 iterations.
iteration 464: trace = 2.449302431382238 (2.97102e-06% change)
linmin: converged after 3 iterations.
iteration 465: trace = 2.449302322795264 (4.43338e-06% change)
linmin: converged after 5 iterations.
iteration 466: trace = 2.449302163235641 (6.51449e-06% change)
linmin: converged after 4 iterations.
iteration 467: trace = 2.449302008603472 (6.31332e-06% change)
linmin: converged after 5 iterations.
iteration 468: trace = 2.449301954760395 (2.1983e-06% change)
large trace change predicted (8.48473e-06%)
linmin: converged after 4 iterations.
iteration 469: trace = 2.449301746929865 (8.4853e-06% change)
linmin: converged after 3 iterations.
iteration 470: trace = 2.44930158499688 (6.61139e-06% change)
linmin: converged after 2 iterations.
iteration 471: trace = 2.449301519537809 (2.67256e-06% change)
large trace change predicted (9.02635e-06%)
linmin: converged after 4 iterations.
iteration 472: trace = 2.44930129839495 (9.02881e-06% change)
linmin: converged after 3 iterations.
iteration 473: trace = 2.449301095773646 (8.27262e-06% change)
linmin: converged after 6 iterations.
iteration 474: trace = 2.449301056541607 (1.60176e-06% change)
large trace change predicted (5.27166e-06%)
linmin: converged after 3 iterations.
iteration 475: trace = 2.44930092741027 (5.27217e-06% change)
linmin: converged after 4 iterations.
iteration 476: trace = 2.449300845753241 (3.33389e-06% change)
linmin: converged after 5 iterations.
iteration 477: trace = 2.449300815360409 (1.24088e-06% change)
large trace change predicted (4.15168e-06%)
linmin: converged after 3 iterations.
iteration 478: trace = 2.449300713665282 (4.15201e-06% change)
linmin: converged after 5 iterations.
iteration 479: trace = 2.44930065569095 (2.36697e-06% change)
linmin: converged after 9 iterations.
iteration 480: trace = 2.449300597626611 (2.37065e-06% change)
linmin: converged after 4 iterations.
iteration 481: trace = 2.449300520992366 (3.12882e-06% change)
linmin: converged after 2 iterations.
iteration 482: trace = 2.449300397210258 (5.05377e-06% change)
linmin: converged after 4 iterations.
iteration 483: trace = 2.449300361225267 (1.46919e-06% change)
large trace change predicted (7.04655e-06%)
linmin: converged after 4 iterations.
iteration 484: trace = 2.449300188636986 (7.04643e-06% change)
linmin: converged after 6 iterations.
iteration 485: trace = 2.449300078732668 (4.48717e-06% change)
linmin: converged after 3 iterations.
iteration 486: trace = 2.449300012246638 (2.71449e-06% change)
large trace change predicted (8.02864e-06%)
linmin: converged after 5 iterations.
iteration 487: trace = 2.44929981560621 (8.02843e-06% change)
linmin: converged after 4 iterations.
iteration 488: trace = 2.449299699773492 (4.72922e-06% change)
linmin: converged after 3 iterations.
iteration 489: trace = 2.449299554635778 (5.92568e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 490: trace = 2.449299429470633 (5.11024e-06% change)
linmin: converged after 6 iterations.
iteration 491: trace = 2.44929934287215 (3.53564e-06% change)
linmin: converged after 2 iterations.
iteration 492: trace = 2.449299184030745 (6.48518e-06% change)
linmin: converged after 2 iterations.
iteration 493: trace = 2.4492991172159 (2.72792e-06% change)
linmin: converged after 3 iterations.
iteration 494: trace = 2.449299029092498 (3.5979e-06% change)
linmin: converged after 6 iterations.
iteration 495: trace = 2.449298878690034 (6.14063e-06% change)
linmin: converged after 9 iterations.
iteration 496: trace = 2.449298852434448 (1.07196e-06% change)
large trace change predicted (3.65764e-06%)
linmin: converged after 5 iterations.
iteration 497: trace = 2.449298762853906 (3.6574e-06% change)
linmin: converged after 3 iterations.
iteration 498: trace = 2.449298701121422 (2.52041e-06% change)
linmin: converged after 8 iterations.
iteration 499: trace = 2.449298684309333 (6.86404e-07% change)
large trace change predicted (2.9529e-06%)
linmin: converged after 3 iterations.
iteration 500: trace = 2.449298611988475 (2.95272e-06% change)
linmin: converged after 4 iterations.
iteration 501: trace = 2.449298544671136 (2.74843e-06% change)
linmin: converged after 4 iterations.
iteration 502: trace = 2.449298524508349 (8.23207e-07% change)
large trace change predicted (2.02023e-06%)
linmin: converged after 3 iterations.
iteration 503: trace = 2.449298475026414 (2.02025e-06% change)
linmin: converged after 6 iterations.
iteration 504: trace = 2.449298389023014 (3.51135e-06% change)
linmin: converged after 7 iterations.
iteration 505: trace = 2.449298367868543 (8.63695e-07% change)
large trace change predicted (5.21918e-06%)
linmin: converged after 11 iterations.
iteration 506: trace = 2.449298240054867 (5.21838e-06% change)
linmin: converged after 3 iterations.
iteration 507: trace = 2.449298135550526 (4.26671e-06% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.449298096211906 (1.60612e-06% change)
large trace change predicted (3.74886e-06%)
linmin: converged after 5 iterations.
iteration 509: trace = 2.449298004395614 (3.74868e-06% change)
linmin: converged after 3 iterations.
iteration 510: trace = 2.449297894952925 (4.46833e-06% change)
linmin: converged after 5 iterations.
iteration 511: trace = 2.449297866227305 (1.17281e-06% change)
large trace change predicted (3.52397e-06%)
linmin: converged after 5 iterations.
iteration 512: trace = 2.449297779911246 (3.52411e-06% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.449297717736781 (2.53846e-06% change)
linmin: converged after 2 iterations.
iteration 514: trace = 2.44929767422181 (1.77663e-06% change)
linmin: converged after 4 iterations.
iteration 515: trace = 2.449297595829442 (3.20061e-06% change)
linmin: converged after 5 iterations.
iteration 516: trace = 2.449297535145935 (2.47759e-06% change)
linmin: converged after 16 iterations.
iteration 517: trace = 2.449297502630137 (1.32756e-06% change)
linmin: converged after 5 iterations.
iteration 518: trace = 2.449297448020834 (2.22959e-06% change)
linmin: converged after 4 iterations.
iteration 519: trace = 2.449297416470452 (1.28814e-06% change)
linmin: converged after 10 iterations.
iteration 520: trace = 2.449297391050599 (1.03784e-06% change)
linmin: converged after 6 iterations.
iteration 521: trace = 2.449297372997664 (7.37066e-07% change)
large trace change predicted (1.84029e-06%)
linmin: converged after 21 iterations.
iteration 522: trace = 2.449297327923096 (1.84031e-06% change)
linmin: converged after 3 iterations.
iteration 523: trace = 2.449297313603914 (5.84624e-07% change)
large trace change predicted (1.99333e-06%)
linmin: converged after 6 iterations.
iteration 524: trace = 2.44929726478399 (1.99322e-06% change)
linmin: converged after 4 iterations.
iteration 525: trace = 2.449297211835038 (2.1618e-06% change)
linmin: converged after 5 iterations.
iteration 526: trace = 2.449297190260008 (8.80866e-07% change)
large trace change predicted (3.57537e-06%)
linmin: converged after 4 iterations.
iteration 527: trace = 2.449297102693991 (3.57515e-06% change)
linmin: converged after 3 iterations.
iteration 528: trace = 2.449297053396339 (2.01273e-06% change)
linmin: converged after 11 iterations.
iteration 529: trace = 2.449297032619429 (8.48281e-07% change)
linmin: converged after 4 iterations.
iteration 530: trace = 2.449296992673108 (1.63093e-06% change)
linmin: converged after 4 iterations.
iteration 531: trace = 2.44929693720552 (2.26463e-06% change)
linmin: converged after 4 iterations.
iteration 532: trace = 2.449296918078637 (7.80913e-07% change)
large trace change predicted (2.63007e-06%)
linmin: converged after 8 iterations.
iteration 533: trace = 2.449296853660734 (2.63006e-06% change)
linmin: converged after 11 iterations.
iteration 534: trace = 2.449296804496899 (2.00726e-06% change)
linmin: converged after 4 iterations.
iteration 535: trace = 2.449296787316758 (7.01432e-07% change)
large trace change predicted (2.03404e-06%)
linmin: converged after 3 iterations.
iteration 536: trace = 2.449296737499339 (2.03395e-06% change)
linmin: converged after 4 iterations.
iteration 537: trace = 2.449296699204011 (1.56352e-06% change)
linmin: converged after 24 iterations.
iteration 538: trace = 2.449296688959647 (4.18257e-07% change)
large trace change predicted (1.80255e-06%)
linmin: converged after 7 iterations.
iteration 539: trace = 2.449296644811075 (1.8025e-06% change)
linmin: converged after 4 iterations.
iteration 540: trace = 2.449296623989745 (8.50094e-07% change)
linmin: converged after 5 iterations.
iteration 541: trace = 2.449296607558735 (6.70846e-07% change)
large trace change predicted (1.65871e-06%)
linmin: converged after 9 iterations.
iteration 542: trace = 2.449296566932979 (1.65867e-06% change)
linmin: converged after 12 iterations.
iteration 543: trace = 2.449296533664887 (1.35827e-06% change)
linmin: converged after 7 iterations.
iteration 544: trace = 2.449296499850904 (1.38056e-06% change)
linmin: converged after 8 iterations.
iteration 545: trace = 2.449296446432119 (2.18098e-06% change)
linmin: converged after 4 iterations.
iteration 546: trace = 2.449296409222726 (1.51919e-06% change)
linmin: converged after 8 iterations.
iteration 547: trace = 2.449296389246551 (8.15588e-07% change)
large trace change predicted (1.98142e-06%)
linmin: converged after 4 iterations.
iteration 548: trace = 2.449296340716756 (1.98138e-06% change)
linmin: converged after 5 iterations.
iteration 549: trace = 2.44929629881578 (1.71074e-06% change)
linmin: converged after 16 iterations.
iteration 550: trace = 2.449296286326081 (5.0993e-07% change)
large trace change predicted (1.11906e-06%)
linmin: converged after 4 iterations.
iteration 551: trace = 2.449296258917512 (1.11904e-06% change)
linmin: converged after 4 iterations.
iteration 552: trace = 2.449296221615067 (1.52299e-06% change)
linmin: converged after 2 iterations.
iteration 553: trace = 2.449296208133059 (5.50444e-07% change)
large trace change predicted (1.9645e-06%)
linmin: converged after 7 iterations.
iteration 554: trace = 2.449296160018755 (1.96441e-06% change)
linmin: converged after 4 iterations.
iteration 555: trace = 2.449296140838978 (7.83073e-07% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.449296123085604 (7.24836e-07% change)
linmin: converged after 3 iterations.
iteration 557: trace = 2.449296099647464 (9.56934e-07% change)
linmin: converged after 7 iterations.
iteration 558: trace = 2.449296088925706 (4.37749e-07% change)
linmin: converged after 9 iterations.
iteration 559: trace = 2.449296082398317 (2.66501e-07% change)
resetting CG direction...
linmin: converged after 10 iterations.
iteration 560: trace = 2.449296076458252 (2.42521e-07% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.449296068067724 (3.42569e-07% change)
large trace change predicted (8.2067e-07%)
linmin: converged after 3 iterations.
iteration 562: trace = 2.449296047966818 (8.20681e-07% change)
linmin: converged after 2 iterations.
iteration 563: trace = 2.449296033437271 (5.93213e-07% change)
linmin: converged after 9 iterations.
iteration 564: trace = 2.449296015820339 (7.19265e-07% change)
large trace change predicted (1.91135e-06%)
linmin: converged after 14 iterations.
iteration 565: trace = 2.449295969003428 (1.91144e-06% change)
linmin: converged after 4 iterations.
iteration 566: trace = 2.449295956077304 (5.27749e-07% change)
large trace change predicted (1.34565e-06%)
linmin: converged after 2 iterations.
iteration 567: trace = 2.449295923118196 (1.34566e-06% change)
linmin: converged after 13 iterations.
iteration 568: trace = 2.449295899340693 (9.70789e-07% change)
linmin: converged after 13 iterations.
iteration 569: trace = 2.449295890442377 (3.63301e-07% change)
large trace change predicted (1.39342e-06%)
linmin: converged after 3 iterations.
iteration 570: trace = 2.449295856312726 (1.39345e-06% change)
linmin: converged after 16 iterations.
iteration 571: trace = 2.449295823140564 (1.35436e-06% change)
linmin: converged after 10 iterations.
iteration 572: trace = 2.449295807003971 (6.58826e-07% change)
large trace change predicted (1.44814e-06%)
linmin: converged after 5 iterations.
iteration 573: trace = 2.449295771533152 (1.4482e-06% change)
linmin: converged after 5 iterations.
iteration 574: trace = 2.449295727555186 (1.79554e-06% change)
linmin: converged after 9 iterations.
iteration 575: trace = 2.449295712153016 (6.28841e-07% change)
large trace change predicted (1.3139e-06%)
linmin: converged after 7 iterations.
iteration 576: trace = 2.449295679970796 (1.31394e-06% change)
linmin: converged after 5 iterations.
iteration 577: trace = 2.449295651212337 (1.17415e-06% change)
linmin: converged after 2 iterations.
iteration 578: trace = 2.449295642594985 (3.5183e-07% change)
large trace change predicted (8.4235e-07%)
linmin: converged after 5 iterations.
iteration 579: trace = 2.449295621962583 (8.42381e-07% change)
linmin: converged after 21 iterations.
iteration 580: trace = 2.449295594146689 (1.13567e-06% change)
linmin: converged after 4 iterations.
iteration 581: trace = 2.449295587613738 (2.66728e-07% change)
large trace change predicted (1.08307e-06%)
linmin: converged after 10 iterations.
iteration 582: trace = 2.449295561084804 (1.08313e-06% change)
linmin: converged after 3 iterations.
iteration 583: trace = 2.449295530508905 (1.24835e-06% change)
linmin: converged after 4 iterations.
iteration 584: trace = 2.449295520181253 (4.21658e-07% change)
large trace change predicted (1.42209e-06%)
linmin: converged after 9 iterations.
iteration 585: trace = 2.449295485348387 (1.42216e-06% change)
linmin: converged after 5 iterations.
iteration 586: trace = 2.449295446972909 (1.5668e-06% change)
linmin: converged after 4 iterations.
iteration 587: trace = 2.449295437633795 (3.81298e-07% change)
large trace change predicted (1.45631e-06%)
linmin: converged after 8 iterations.
iteration 588: trace = 2.449295401963015 (1.45637e-06% change)
linmin: converged after 10 iterations.
iteration 589: trace = 2.449295376839459 (1.02575e-06% change)
linmin: converged after 3 iterations.
iteration 590: trace = 2.449295361870868 (6.11139e-07% change)
linmin: converged after 2 iterations.
iteration 591: trace = 2.449295337047406 (1.01349e-06% change)
linmin: converged after 4 iterations.
iteration 592: trace = 2.449295293299488 (1.78614e-06% change)
linmin: converged after 4 iterations.
iteration 593: trace = 2.449295282239425 (4.51561e-07% change)
large trace change predicted (1.28824e-06%)
linmin: converged after 4 iterations.
iteration 594: trace = 2.449295250685992 (1.28827e-06% change)
linmin: converged after 5 iterations.
iteration 595: trace = 2.449295221824196 (1.17837e-06% change)
linmin: converged after 2 iterations.
iteration 596: trace = 2.44929521386984 (3.24761e-07% change)
large trace change predicted (1.03584e-06%)
linmin: converged after 4 iterations.
iteration 597: trace = 2.449295188499494 (1.03582e-06% change)
linmin: converged after 6 iterations.
iteration 598: trace = 2.449295177111954 (4.64931e-07% change)
linmin: converged after 3 iterations.
iteration 599: trace = 2.449295168897962 (3.35361e-07% change)
linmin: converged after 4 iterations.
iteration 600: trace = 2.449295153614405 (6.23998e-07% change)
linmin: converged after 4 iterations.
iteration 601: trace = 2.449295131232283 (9.13819e-07% change)
linmin: converged after 18 iterations.
iteration 602: trace = 2.449295121822322 (3.84191e-07% change)
large trace change predicted (1.77567e-06%)
linmin: converged after 13 iterations.
iteration 603: trace = 2.449295078339307 (1.77533e-06% change)
linmin: converged after 4 iterations.
iteration 604: trace = 2.449295043926324 (1.40502e-06% change)
linmin: converged after 4 iterations.
iteration 605: trace = 2.44929503094616 (5.29955e-07% change)
large trace change predicted (1.5279e-06%)
linmin: converged after 9 iterations.
iteration 606: trace = 2.449294993525982 (1.52779e-06% change)
linmin: converged after 19 iterations.
iteration 607: trace = 2.449294956707033 (1.50325e-06% change)
linmin: converged after 2 iterations.
iteration 608: trace = 2.449294939272067 (7.11836e-07% change)
large trace change predicted (1.60246e-06%)
linmin: converged after 3 iterations.
iteration 609: trace = 2.449294900021942 (1.60251e-06% change)
linmin: converged after 6 iterations.
iteration 610: trace = 2.449294857711322 (1.72746e-06% change)
linmin: converged after 14 iterations.
iteration 611: trace = 2.449294830745647 (1.10096e-06% change)
linmin: converged after 4 iterations.
iteration 612: trace = 2.44929480176176 (1.18336e-06% change)
linmin: converged after 4 iterations.
iteration 613: trace = 2.449294753618048 (1.96562e-06% change)
linmin: converged after 4 iterations.
iteration 614: trace = 2.449294744950016 (3.53899e-07% change)
large trace change predicted (1.28832e-06%)
linmin: converged after 6 iterations.
iteration 615: trace = 2.449294713392934 (1.28842e-06% change)
linmin: converged after 4 iterations.
iteration 616: trace = 2.449294693129423 (8.2732e-07% change)
linmin: converged after 8 iterations.
iteration 617: trace = 2.449294677932421 (6.20464e-07% change)
linmin: converged after 8 iterations.
iteration 618: trace = 2.449294664915564 (5.31453e-07% change)
linmin: converged after 9 iterations.
iteration 619: trace = 2.449294640543842 (9.95051e-07% change)
linmin: converged after 13 iterations.
iteration 620: trace = 2.449294633871995 (2.72399e-07% change)
large trace change predicted (6.53942e-07%)
linmin: converged after 5 iterations.
iteration 621: trace = 2.449294617854707 (6.53955e-07% change)
linmin: converged after 11 iterations.
iteration 622: trace = 2.44929458844143 (1.20089e-06% change)
linmin: converged after 13 iterations.
iteration 623: trace = 2.449294565662547 (9.30018e-07% change)
linmin: converged after 4 iterations.
iteration 624: trace = 2.449294538123795 (1.12435e-06% change)
linmin: converged after 3 iterations.
iteration 625: trace = 2.449294506644298 (1.28525e-06% change)
linmin: converged after 7 iterations.
iteration 626: trace = 2.449294488678851 (7.33495e-07% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.449294456059742 (1.33178e-06% change)
linmin: converged after 5 iterations.
iteration 628: trace = 2.44929441222657 (1.78962e-06% change)
linmin: converged after 5 iterations.
iteration 629: trace = 2.44929437856458 (1.37435e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.449294348225139 (1.2387e-06% change)
linmin: converged after 6 iterations.
iteration 631: trace = 2.449294311729159 (1.49006e-06% change)
linmin: converged after 5 iterations.
iteration 632: trace = 2.449294283566208 (1.14984e-06% change)
linmin: converged after 12 iterations.
iteration 633: trace = 2.44929426721953 (6.67404e-07% change)
linmin: converged after 3 iterations.
iteration 634: trace = 2.449294240152789 (1.10508e-06% change)
linmin: converged after 2 iterations.
iteration 635: trace = 2.449294216841413 (9.51759e-07% change)
linmin: converged after 7 iterations.
iteration 636: trace = 2.449294200573756 (6.64177e-07% change)
linmin: converged after 3 iterations.
iteration 637: trace = 2.44929417672032 (9.7389e-07% change)
linmin: converged after 4 iterations.
iteration 638: trace = 2.449294169224955 (3.06021e-07% change)
linmin: converged after 5 iterations.
iteration 639: trace = 2.449294160732715 (3.46722e-07% change)
large trace change predicted (7.45905e-07%)
linmin: converged after 5 iterations.
iteration 640: trace = 2.449294142463735 (7.45888e-07% change)
linmin: converged after 2 iterations.
iteration 641: trace = 2.449294137792205 (1.9073e-07% change)
large trace change predicted (5.92936e-07%)
linmin: converged after 5 iterations.
iteration 642: trace = 2.449294123269853 (5.9292e-07% change)
linmin: converged after 3 iterations.
iteration 643: trace = 2.449294110542836 (5.1962e-07% change)
linmin: converged after 9 iterations.
iteration 644: trace = 2.449294102403012 (3.32333e-07% change)
large trace change predicted (6.66144e-07%)
linmin: converged after 4 iterations.
iteration 645: trace = 2.449294086087627 (6.66126e-07% change)
linmin: converged after 9 iterations.
iteration 646: trace = 2.449294054702321 (1.2814e-06% change)
linmin: converged after 7 iterations.
iteration 647: trace = 2.449294040562214 (5.77314e-07% change)
linmin: converged after 4 iterations.
iteration 648: trace = 2.449294022097127 (7.53894e-07% change)
linmin: converged after 8 iterations.
iteration 649: trace = 2.449293998998872 (9.43058e-07% change)
linmin: converged after 9 iterations.
iteration 650: trace = 2.449293981243777 (7.24907e-07% change)
linmin: converged after 12 iterations.
iteration 651: trace = 2.449293968078251 (5.37523e-07% change)
linmin: converged after 16 iterations.
iteration 652: trace = 2.449293948649922 (7.93222e-07% change)
linmin: converged after 5 iterations.
iteration 653: trace = 2.449293939222242 (3.84914e-07% change)
linmin: converged after 3 iterations.
iteration 654: trace = 2.44929392374868 (6.31756e-07% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.449293905575563 (7.41974e-07% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.449293900160324 (2.21094e-07% change)
large trace change predicted (6.95558e-07%)
linmin: converged after 4 iterations.
iteration 657: trace = 2.449293883122324 (6.95629e-07% change)
linmin: converged after 8 iterations.
iteration 658: trace = 2.449293870445803 (5.17558e-07% change)
linmin: converged after 18 iterations.
iteration 659: trace = 2.449293863998098 (2.63248e-07% change)
linmin: converged after 15 iterations.
iteration 660: trace = 2.449293861031792 (1.21109e-07% change)
large trace change predicted (3.32179e-07%)
linmin: converged after 3 iterations.
iteration 661: trace = 2.449293852895654 (3.32183e-07% change)
linmin: converged after 13 iterations.
iteration 662: trace = 2.449293842369846 (4.29749e-07% change)
linmin: converged after 4 iterations.
iteration 663: trace = 2.449293839232275 (1.28101e-07% change)
large trace change predicted (4.21875e-07%)
linmin: converged after 4 iterations.
iteration 664: trace = 2.449293828899499 (4.21868e-07% change)
linmin: converged after 4 iterations.
iteration 665: trace = 2.449293815336883 (5.53736e-07% change)
linmin: converged after 4 iterations.
iteration 666: trace = 2.449293810047407 (2.15959e-07% change)
large trace change predicted (8.1053e-07%)
linmin: converged after 8 iterations.
iteration 667: trace = 2.449293790195751 (8.10505e-07% change)
linmin: converged after 4 iterations.
iteration 668: trace = 2.449293782273859 (3.23436e-07% change)
linmin: converged after 11 iterations.
iteration 669: trace = 2.449293775394512 (2.80871e-07% change)
linmin: converged after 5 iterations.
iteration 670: trace = 2.449293764945047 (4.26632e-07% change)
linmin: converged after 5 iterations.
iteration 671: trace = 2.449293756504798 (3.44599e-07% change)
linmin: converged after 4 iterations.
iteration 672: trace = 2.44929374722218 (3.78992e-07% change)
linmin: converged after 15 iterations.
iteration 673: trace = 2.449293731960705 (6.23097e-07% change)
linmin: converged after 13 iterations.
iteration 674: trace = 2.449293725417255 (2.67157e-07% change)
linmin: converged after 4 iterations.
iteration 675: trace = 2.44929371615482 (3.78168e-07% change)
linmin: converged after 5 iterations.
iteration 676: trace = 2.449293704609577 (4.7137e-07% change)
linmin: converged after 4 iterations.
iteration 677: trace = 2.449293696774195 (3.19904e-07% change)
linmin: converged after 2 iterations.
iteration 678: trace = 2.449293693571425 (1.30763e-07% change)
large trace change predicted (4.15708e-07%)
linmin: converged after 16 iterations.
iteration 679: trace = 2.449293683389681 (4.15701e-07% change)
linmin: converged after 3 iterations.
iteration 680: trace = 2.449293679386666 (1.63435e-07% change)
linmin: converged after 23 iterations.
iteration 681: trace = 2.449293674621555 (1.9455e-07% change)
linmin: converged after 7 iterations.
iteration 682: trace = 2.449293665308911 (3.80218e-07% change)
linmin: converged after 5 iterations.
iteration 683: trace = 2.449293659723073 (2.28059e-07% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.449293649596636 (4.13443e-07% change)
linmin: converged after 5 iterations.
iteration 685: trace = 2.449293637100528 (5.10192e-07% change)
linmin: converged after 5 iterations.
iteration 686: trace = 2.449293630006 (2.89656e-07% change)
linmin: converged after 3 iterations.
iteration 687: trace = 2.449293623719263 (2.56676e-07% change)
linmin: converged after 3 iterations.
iteration 688: trace = 2.449293612301654 (4.66159e-07% change)
linmin: converged after 4 iterations.
iteration 689: trace = 2.449293603402506 (3.63335e-07% change)
linmin: converged after 4 iterations.
iteration 690: trace = 2.449293600123875 (1.3386e-07% change)
linmin: converged after 7 iterations.
iteration 691: trace = 2.449293593941523 (2.52414e-07% change)
linmin: converged after 4 iterations.
iteration 692: trace = 2.449293584845991 (3.71353e-07% change)
linmin: converged after 3 iterations.
iteration 693: trace = 2.449293581503368 (1.36473e-07% change)
large trace change predicted (4.86326e-07%)
linmin: converged after 5 iterations.
iteration 694: trace = 2.449293569592126 (4.86313e-07% change)
linmin: converged after 6 iterations.
iteration 695: trace = 2.44929356405537 (2.26055e-07% change)
linmin: converged after 4 iterations.
iteration 696: trace = 2.44929356123884 (1.14994e-07% change)
linmin: converged after 4 iterations.
iteration 697: trace = 2.449293555906936 (2.17691e-07% change)
linmin: converged after 6 iterations.
iteration 698: trace = 2.449293553202247 (1.10427e-07% change)
linmin: converged after 23 iterations.
iteration 699: trace = 2.449293552072011 (4.61454e-08% change)
resetting CG direction...
linmin: converged after 18 iterations.
iteration 700: trace = 2.449293550991635 (4.41097e-08% change)
large trace change predicted (9.53215e-08%)
linmin: converged after 17 iterations.
iteration 701: trace = 2.449293548656932 (9.53215e-08% change)
linmin: converged after 10 iterations.
iteration 702: trace = 2.449293544302831 (1.7777e-07% change)
linmin: converged after 14 iterations.
iteration 703: trace = 2.449293542252224 (8.37224e-08% change)
large trace change predicted (2.38125e-07%)
linmin: converged after 15 iterations.
iteration 704: trace = 2.449293536419747 (2.38129e-07% change)
linmin: converged after 5 iterations.
iteration 705: trace = 2.449293525471346 (4.47002e-07% change)
linmin: converged after 4 iterations.
iteration 706: trace = 2.449293523232405 (9.14117e-08% change)
large trace change predicted (3.81117e-07%)
linmin: converged after 4 iterations.
iteration 707: trace = 2.449293513897719 (3.81117e-07% change)
linmin: converged after 2 iterations.
iteration 708: trace = 2.44929350925396 (1.89596e-07% change)
linmin: converged after 2 iterations.
iteration 709: trace = 2.449293507155359 (8.56819e-08% change)
large trace change predicted (3.53602e-07%)
linmin: converged after 13 iterations.
iteration 710: trace = 2.449293498494528 (3.53605e-07% change)
linmin: converged after 7 iterations.
iteration 711: trace = 2.449293493006601 (2.24062e-07% change)
linmin: converged after 4 iterations.
iteration 712: trace = 2.449293487839301 (2.10971e-07% change)
linmin: converged after 16 iterations.
iteration 713: trace = 2.449293479353592 (3.46455e-07% change)
linmin: converged after 4 iterations.
iteration 714: trace = 2.449293468416725 (4.46532e-07% change)
linmin: converged after 4 iterations.
iteration 715: trace = 2.449293466204248 (9.03312e-08% change)
large trace change predicted (3.94189e-07%)
linmin: converged after 11 iterations.
iteration 716: trace = 2.449293456549298 (3.94193e-07% change)
linmin: converged after 13 iterations.
iteration 717: trace = 2.449293450153768 (2.61117e-07% change)
linmin: converged after 6 iterations.
iteration 718: trace = 2.449293448035268 (8.64943e-08% change)
large trace change predicted (1.93877e-07%)
linmin: converged after 28 iterations.
iteration 719: trace = 2.449293443286568 (1.9388e-07% change)
linmin: converged after 15 iterations.
iteration 720: trace = 2.449293436842403 (2.63103e-07% change)
linmin: converged after 15 iterations.
iteration 721: trace = 2.449293435159273 (6.8719e-08% change)
large trace change predicted (2.37797e-07%)
linmin: converged after 5 iterations.
iteration 722: trace = 2.449293429334772 (2.37803e-07% change)
linmin: converged after 4 iterations.
iteration 723: trace = 2.449293422493635 (2.79311e-07% change)
linmin: converged after 4 iterations.
iteration 724: trace = 2.449293419681655 (1.14808e-07% change)
large trace change predicted (3.57375e-07%)
linmin: converged after 5 iterations.
iteration 725: trace = 2.44929341092825 (3.57385e-07% change)
linmin: converged after 15 iterations.
iteration 726: trace = 2.449293401365326 (3.90436e-07% change)
linmin: converged after 2 iterations.
iteration 727: trace = 2.449293399194356 (8.86366e-08% change)
large trace change predicted (3.60791e-07%)
linmin: converged after 7 iterations.
iteration 728: trace = 2.449293390357389 (3.60797e-07% change)
linmin: converged after 4 iterations.
iteration 729: trace = 2.449293384374638 (2.44264e-07% change)
linmin: converged after 5 iterations.
iteration 730: trace = 2.44929338047391 (1.59259e-07% change)
linmin: converged after 13 iterations.
iteration 731: trace = 2.449293374939781 (2.25948e-07% change)
linmin: converged after 7 iterations.
iteration 732: trace = 2.449293364309407 (4.34018e-07% change)
linmin: converged after 4 iterations.
iteration 733: trace = 2.44929336120834 (1.26611e-07% change)
large trace change predicted (2.67648e-07%)
linmin: converged after 10 iterations.
iteration 734: trace = 2.449293354652786 (2.67651e-07% change)
linmin: converged after 3 iterations.
iteration 735: trace = 2.449293347813783 (2.79223e-07% change)
linmin: converged after 7 iterations.
iteration 736: trace = 2.449293344877164 (1.19897e-07% change)
linmin: converged after 7 iterations.
iteration 737: trace = 2.449293340072515 (1.96165e-07% change)
linmin: converged after 7 iterations.
iteration 738: trace = 2.449293336689746 (1.38112e-07% change)
linmin: converged after 4 iterations.
iteration 739: trace = 2.449293334995321 (6.91801e-08% change)
large trace change predicted (1.41621e-07%)
linmin: converged after 7 iterations.
iteration 740: trace = 2.44929333152668 (1.41618e-07% change)
linmin: converged after 5 iterations.
iteration 741: trace = 2.449293325592226 (2.42293e-07% change)
linmin: converged after 8 iterations.
iteration 742: trace = 2.449293323676253 (7.82255e-08% change)
large trace change predicted (3.90224e-07%)
linmin: converged after 7 iterations.
iteration 743: trace = 2.449293314119286 (3.90193e-07% change)
linmin: converged after 4 iterations.
iteration 744: trace = 2.449293305051359 (3.70226e-07% change)
linmin: converged after 4 iterations.
iteration 745: trace = 2.449293301228793 (1.56068e-07% change)
linmin: converged after 5 iterations.
iteration 746: trace = 2.449293293759903 (3.04941e-07% change)
linmin: converged after 4 iterations.
iteration 747: trace = 2.449293285259246 (3.47066e-07% change)
linmin: converged after 4 iterations.
iteration 748: trace = 2.449293281581426 (1.50158e-07% change)
large trace change predicted (4.0202e-07%)
linmin: converged after 5 iterations.
iteration 749: trace = 2.449293271734551 (4.02029e-07% change)
linmin: converged after 10 iterations.
iteration 750: trace = 2.449293261696383 (4.09839e-07% change)
linmin: converged after 5 iterations.
iteration 751: trace = 2.449293252047075 (3.93963e-07% change)
linmin: converged after 12 iterations.
iteration 752: trace = 2.449293248615245 (1.40115e-07% change)
large trace change predicted (4.7991e-07%)
linmin: converged after 6 iterations.
iteration 753: trace = 2.449293236860091 (4.79941e-07% change)
linmin: converged after 4 iterations.
iteration 754: trace = 2.449293230246521 (2.7002e-07% change)
linmin: converged after 4 iterations.
iteration 755: trace = 2.449293227426234 (1.15147e-07% change)
linmin: converged after 4 iterations.
iteration 756: trace = 2.449293222690805 (1.93339e-07% change)
linmin: converged after 4 iterations.
iteration 757: trace = 2.449293217515391 (2.11302e-07% change)
linmin: converged after 24 iterations.
iteration 758: trace = 2.449293216083568 (5.84586e-08% change)
large trace change predicted (2.31159e-07%)
linmin: converged after 7 iterations.
iteration 759: trace = 2.449293210421688 (2.31164e-07% change)
linmin: converged after 4 iterations.
iteration 760: trace = 2.449293208256873 (8.83853e-08% change)
linmin: converged after 6 iterations.
iteration 761: trace = 2.449293205565157 (1.09898e-07% change)
large trace change predicted (3.25563e-07%)
linmin: converged after 10 iterations.
iteration 762: trace = 2.449293197591006 (3.25569e-07% change)
linmin: converged after 4 iterations.
iteration 763: trace = 2.449293194292462 (1.34673e-07% change)
large trace change predicted (3.36803e-07%)
linmin: converged after 4 iterations.
iteration 764: trace = 2.449293186043188 (3.36802e-07% change)
linmin: converged after 7 iterations.
iteration 765: trace = 2.449293178634246 (3.02493e-07% change)
linmin: converged after 7 iterations.
iteration 766: trace = 2.449293171716965 (2.8242e-07% change)
linmin: converged after 4 iterations.
iteration 767: trace = 2.449293166292309 (2.21478e-07% change)
linmin: converged after 4 iterations.
iteration 768: trace = 2.449293155738745 (4.30882e-07% change)
large trace change predicted (3.21908e-06%)
linmin: converged after 4 iterations.
iteration 769: trace = 2.449293076889345 (3.21927e-06% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 770: trace = 2.449293050944771 (1.05927e-06% change)
linmin: converged after 2 iterations.
iteration 771: trace = 2.449293028044838 (9.34961e-07% change)
linmin: converged after 2 iterations.
iteration 772: trace = 2.449293016110505 (4.87256e-07% change)
linmin: converged after 15 iterations.
iteration 773: trace = 2.449293013072651 (1.2403e-07% change)
large trace change predicted (3.54214e-07%)
linmin: converged after 4 iterations.
iteration 774: trace = 2.44929300439681 (3.54218e-07% change)
linmin: converged after 4 iterations.
iteration 775: trace = 2.449293002083938 (9.44302e-08% change)
linmin: converged after 3 iterations.
iteration 776: trace = 2.449292999655202 (9.91607e-08% change)
linmin: converged after 8 iterations.
iteration 777: trace = 2.449292995709639 (1.6109e-07% change)
linmin: converged after 7 iterations.
iteration 778: trace = 2.449292993842816 (7.62189e-08% change)
linmin: converged after 4 iterations.
iteration 779: trace = 2.449292990190584 (1.49114e-07% change)
linmin: converged after 6 iterations.
iteration 780: trace = 2.44929298653819 (1.4912e-07% change)
linmin: converged after 17 iterations.
iteration 781: trace = 2.44929298559593 (3.84707e-08% change)
linmin: converged after 8 iterations.
iteration 782: trace = 2.449292984279377 (5.37524e-08% change)
linmin: converged after 4 iterations.
iteration 783: trace = 2.449292982473056 (7.37487e-08% change)
linmin: converged after 4 iterations.
iteration 784: trace = 2.449292981266213 (4.92731e-08% change)
linmin: converged after 7 iterations.
iteration 785: trace = 2.449292978945507 (9.47501e-08% change)
linmin: converged after 4 iterations.
iteration 786: trace = 2.449292975044584 (1.59267e-07% change)
linmin: converged after 4 iterations.
iteration 787: trace = 2.449292973549084 (6.10584e-08% change)
linmin: converged after 7 iterations.
iteration 788: trace = 2.449292971104859 (9.97931e-08% change)
linmin: converged after 4 iterations.
iteration 789: trace = 2.449292967183476 (1.60103e-07% change)
linmin: converged after 4 iterations.
iteration 790: trace = 2.449292965303232 (7.67668e-08% change)
large trace change predicted (1.98171e-07%)
linmin: converged after 6 iterations.
iteration 791: trace = 2.449292960449499 (1.98169e-07% change)
linmin: converged after 8 iterations.
iteration 792: trace = 2.4492929565545 (1.59025e-07% change)
linmin: converged after 4 iterations.
iteration 793: trace = 2.449292954187952 (9.66217e-08% change)
linmin: converged after 7 iterations.
iteration 794: trace = 2.449292952501317 (6.88621e-08% change)
large trace change predicted (1.50297e-07%)
linmin: converged after 6 iterations.
iteration 795: trace = 2.449292948820074 (1.50298e-07% change)
linmin: converged after 6 iterations.
iteration 796: trace = 2.449292946578884 (9.15035e-08% change)
linmin: converged after 6 iterations.
iteration 797: trace = 2.4492929440756 (1.02204e-07% change)
linmin: converged after 6 iterations.
iteration 798: trace = 2.44929294184444 (9.1094e-08% change)
linmin: converged after 4 iterations.
iteration 799: trace = 2.449292939411533 (9.9331e-08% change)
linmin: converged after 6 iterations.
iteration 800: trace = 2.449292938905594 (2.06565e-08% change)
large trace change predicted (6.53231e-08%)
linmin: converged after 7 iterations.
iteration 801: trace = 2.449292937305603 (6.53246e-08% change)
linmin: converged after 3 iterations.
iteration 802: trace = 2.449292936225631 (4.40932e-08% change)
linmin: converged after 6 iterations.
iteration 803: trace = 2.449292935795456 (1.75632e-08% change)
large trace change predicted (5.78056e-08%)
linmin: converged after 5 iterations.
iteration 804: trace = 2.449292934379625 (5.78057e-08% change)
linmin: converged after 4 iterations.
iteration 805: trace = 2.44929293196233 (9.86936e-08% change)
linmin: converged after 3 iterations.
iteration 806: trace = 2.449292930871808 (4.45239e-08% change)
linmin: converged after 4 iterations.
iteration 807: trace = 2.449292929025036 (7.54002e-08% change)
linmin: converged after 4 iterations.
iteration 808: trace = 2.449292926416139 (1.06516e-07% change)
linmin: converged after 15 iterations.
iteration 809: trace = 2.449292925160456 (5.12671e-08% change)
linmin: converged after 4 iterations.
iteration 810: trace = 2.449292923510468 (6.73659e-08% change)
linmin: converged after 7 iterations.
iteration 811: trace = 2.449292921055966 (1.00213e-07% change)
linmin: converged after 4 iterations.
iteration 812: trace = 2.44929292054098 (2.10259e-08% change)
large trace change predicted (8.54323e-08%)
linmin: converged after 12 iterations.
iteration 813: trace = 2.449292918448503 (8.54319e-08% change)
linmin: converged after 4 iterations.
iteration 814: trace = 2.449292916791608 (6.76479e-08% change)
linmin: converged after 11 iterations.
iteration 815: trace = 2.449292916082057 (2.89696e-08% change)
large trace change predicted (1.1322e-07%)
linmin: converged after 4 iterations.
iteration 816: trace = 2.449292913308978 (1.1322e-07% change)
linmin: converged after 7 iterations.
iteration 817: trace = 2.449292910912646 (9.78377e-08% change)
linmin: converged after 5 iterations.
iteration 818: trace = 2.449292910358037 (2.26436e-08% change)
linmin: converged after 4 iterations.
iteration 819: trace = 2.449292909287076 (4.37253e-08% change)
linmin: converged after 7 iterations.
iteration 820: trace = 2.449292907754324 (6.25793e-08% change)
linmin: converged after 4 iterations.
iteration 821: trace = 2.44929290726912 (1.981e-08% change)
large trace change predicted (6.32519e-08%)
linmin: converged after 24 iterations.
iteration 822: trace = 2.449292905719897 (6.32518e-08% change)
linmin: converged after 4 iterations.
iteration 823: trace = 2.449292904359893 (5.55264e-08% change)
linmin: converged after 13 iterations.
iteration 824: trace = 2.44929290315872 (4.90416e-08% change)
linmin: converged after 4 iterations.
iteration 825: trace = 2.449292902439177 (2.93775e-08% change)
large trace change predicted (7.29904e-08%)
linmin: converged after 4 iterations.
iteration 826: trace = 2.449292900651435 (7.29901e-08% change)
linmin: converged after 4 iterations.
iteration 827: trace = 2.449292899871154 (3.18574e-08% change)
large trace change predicted (7.14704e-08%)
linmin: converged after 6 iterations.
iteration 828: trace = 2.449292898120633 (7.14704e-08% change)
linmin: converged after 4 iterations.
iteration 829: trace = 2.44929289644922 (6.82407e-08% change)
linmin: converged after 17 iterations.
iteration 830: trace = 2.449292895568439 (3.59606e-08% change)
linmin: converged after 4 iterations.
iteration 831: trace = 2.449292894770636 (3.25728e-08% change)
large trace change predicted (6.70632e-08%)
linmin: converged after 4 iterations.
iteration 832: trace = 2.449292893128064 (6.70631e-08% change)
linmin: converged after 4 iterations.
iteration 833: trace = 2.449292892711513 (1.7007e-08% change)
large trace change predicted (4.89608e-08%)
linmin: converged after 5 iterations.
iteration 834: trace = 2.449292891512315 (4.8961e-08% change)
linmin: converged after 12 iterations.
iteration 835: trace = 2.449292890071998 (5.88054e-08% change)
linmin: converged after 4 iterations.
iteration 836: trace = 2.449292888707991 (5.56899e-08% change)
linmin: converged after 10 iterations.
iteration 837: trace = 2.449292888072222 (2.59572e-08% change)
linmin: converged after 3 iterations.
iteration 838: trace = 2.449292887317911 (3.07971e-08% change)
linmin: converged after 4 iterations.
iteration 839: trace = 2.449292886820534 (2.0307e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 840: trace = 2.449292886663034 (6.43042e-09% change)
large trace change predicted (1.2912e-08%)
linmin: converged after 4 iterations.
iteration 841: trace = 2.449292886346788 (1.29117e-08% change)
linmin: converged after 21 iterations.
iteration 842: trace = 2.449292885792505 (2.26303e-08% change)
linmin: converged after 4 iterations.
iteration 843: trace = 2.449292885533664 (1.0568e-08% change)
large trace change predicted (6.39695e-08%)
linmin: converged after 4 iterations.
iteration 844: trace = 2.449292883966869 (6.39693e-08% change)
linmin: converged after 4 iterations.
iteration 845: trace = 2.449292882776127 (4.86158e-08% change)
linmin: converged after 4 iterations.
iteration 846: trace = 2.44929288219734 (2.36308e-08% change)
linmin: converged after 4 iterations.
iteration 847: trace = 2.449292881068467 (4.60898e-08% change)
linmin: converged after 4 iterations.
iteration 848: trace = 2.449292880030361 (4.23839e-08% change)
linmin: converged after 4 iterations.
iteration 849: trace = 2.449292879581204 (1.83382e-08% change)
large trace change predicted (4.97834e-08%)
linmin: converged after 4 iterations.
iteration 850: trace = 2.449292878361861 (4.97835e-08% change)
linmin: converged after 13 iterations.
iteration 851: trace = 2.449292877674381 (2.80685e-08% change)
linmin: converged after 3 iterations.
iteration 852: trace = 2.449292876599154 (4.38995e-08% change)
linmin: converged after 12 iterations.
iteration 853: trace = 2.449292874813741 (7.2895e-08% change)
linmin: converged after 6 iterations.
iteration 854: trace = 2.449292873984671 (3.38494e-08% change)
linmin: converged after 4 iterations.
iteration 855: trace = 2.449292873210549 (3.16059e-08% change)
linmin: converged after 22 iterations.
iteration 856: trace = 2.449292871961519 (5.09955e-08% change)
linmin: converged after 5 iterations.
iteration 857: trace = 2.449292870939143 (4.17417e-08% change)
linmin: converged after 4 iterations.
iteration 858: trace = 2.449292870574498 (1.48878e-08% change)
large trace change predicted (4.03523e-08%)
linmin: converged after 7 iterations.
iteration 859: trace = 2.449292869586152 (4.03523e-08% change)
linmin: converged after 14 iterations.
iteration 860: trace = 2.449292868747079 (3.42578e-08% change)
linmin: converged after 10 iterations.
iteration 861: trace = 2.44929286836814 (1.54714e-08% change)
linmin: converged after 4 iterations.
iteration 862: trace = 2.44929286761192 (3.0875e-08% change)
linmin: converged after 4 iterations.
iteration 863: trace = 2.449292866153526 (5.95435e-08% change)
linmin: converged after 4 iterations.
iteration 864: trace = 2.449292865752945 (1.6355e-08% change)
large trace change predicted (8.29358e-08%)
linmin: converged after 4 iterations.
iteration 865: trace = 2.44929286372159 (8.29364e-08% change)
linmin: converged after 4 iterations.
iteration 866: trace = 2.449292862322135 (5.71371e-08% change)
linmin: converged after 10 iterations.
iteration 867: trace = 2.449292861850314 (1.92636e-08% change)
linmin: converged after 3 iterations.
iteration 868: trace = 2.449292860966873 (3.60693e-08% change)
linmin: converged after 4 iterations.
iteration 869: trace = 2.449292859552119 (5.77617e-08% change)
linmin: converged after 4 iterations.
iteration 870: trace = 2.449292859154904 (1.62175e-08% change)
large trace change predicted (4.8918e-08%)
linmin: converged after 10 iterations.
iteration 871: trace = 2.449292857956749 (4.89184e-08% change)
linmin: converged after 2 iterations.
iteration 872: trace = 2.449292856382815 (6.42607e-08% change)
linmin: converged after 9 iterations.
iteration 873: trace = 2.449292855380105 (4.09388e-08% change)
linmin: converged after 4 iterations.
iteration 874: trace = 2.449292854638 (3.02987e-08% change)
linmin: converged after 4 iterations.
iteration 875: trace = 2.449292853422763 (4.96158e-08% change)
linmin: converged after 5 iterations.
iteration 876: trace = 2.449292852498708 (3.77274e-08% change)
linmin: converged after 14 iterations.
iteration 877: trace = 2.44929285225404 (9.98934e-09% change)
linmin: converged after 3 iterations.
iteration 878: trace = 2.449292851784123 (1.91858e-08% change)
linmin: converged after 4 iterations.
iteration 879: trace = 2.449292851010172 (3.15989e-08% change)
linmin: converged after 4 iterations.
iteration 880: trace = 2.449292850751648 (1.05551e-08% change)
large trace change predicted (4.84129e-08%)
linmin: converged after 8 iterations.
iteration 881: trace = 2.449292849565906 (4.84116e-08% change)
linmin: converged after 5 iterations.
iteration 882: trace = 2.449292848174789 (5.67967e-08% change)
linmin: converged after 18 iterations.
iteration 883: trace = 2.44929284758822 (2.39485e-08% change)
large trace change predicted (5.19972e-08%)
linmin: converged after 12 iterations.
iteration 884: trace = 2.449292846314686 (5.1996e-08% change)
linmin: converged after 5 iterations.
iteration 885: trace = 2.449292844211046 (8.58876e-08% change)
linmin: converged after 4 iterations.
iteration 886: trace = 2.449292843787505 (1.72924e-08% change)
large trace change predicted (5.4608e-08%)
linmin: converged after 10 iterations.
iteration 887: trace = 2.449292842449995 (5.4608e-08% change)
linmin: converged after 5 iterations.
iteration 888: trace = 2.449292840974808 (6.02291e-08% change)
linmin: converged after 6 iterations.
iteration 889: trace = 2.449292840239777 (3.00099e-08% change)
large trace change predicted (8.99008e-08%)
linmin: converged after 7 iterations.
iteration 890: trace = 2.449292838037817 (8.99019e-08% change)
linmin: converged after 11 iterations.
iteration 891: trace = 2.449292836459192 (6.44523e-08% change)
linmin: converged after 5 iterations.
iteration 892: trace = 2.449292836045462 (1.68918e-08% change)
large trace change predicted (5.18763e-08%)
linmin: converged after 41 iterations.
iteration 893: trace = 2.449292834774843 (5.1877e-08% change)
linmin: converged after 12 iterations.
iteration 894: trace = 2.449292833546775 (5.01397e-08% change)
linmin: converged after 4 iterations.
iteration 895: trace = 2.449292833176676 (1.51104e-08% change)
large trace change predicted (3.96536e-08%)
linmin: converged after 6 iterations.
iteration 896: trace = 2.449292832205436 (3.96539e-08% change)
linmin: converged after 3 iterations.
iteration 897: trace = 2.449292831623656 (2.3753e-08% change)
linmin: converged after 3 iterations.
iteration 898: trace = 2.449292831317547 (1.24978e-08% change)
linmin: converged after 4 iterations.
iteration 899: trace = 2.449292830721409 (2.43392e-08% change)
linmin: converged after 2 iterations.
iteration 900: trace = 2.449292829813082 (3.70853e-08% change)
linmin: converged after 7 iterations.
iteration 901: trace = 2.449292829246363 (2.31381e-08% change)
large trace change predicted (4.93449e-08%)
linmin: converged after 4 iterations.
iteration 902: trace = 2.449292828037762 (4.93449e-08% change)
linmin: converged after 4 iterations.
iteration 903: trace = 2.449292826549731 (6.07535e-08% change)
linmin: converged after 4 iterations.
iteration 904: trace = 2.449292826112185 (1.78642e-08% change)
linmin: converged after 4 iterations.
iteration 905: trace = 2.449292825291375 (3.35121e-08% change)
large trace change predicted (8.60286e-08%)
linmin: converged after 4 iterations.
iteration 906: trace = 2.449292823184289 (8.60283e-08% change)
linmin: converged after 14 iterations.
iteration 907: trace = 2.449292822541658 (2.62374e-08% change)
large trace change predicted (1.33293e-07%)
linmin: converged after 4 iterations.
iteration 908: trace = 2.449292819276921 (1.33293e-07% change)
linmin: converged after 16 iterations.
iteration 909: trace = 2.449292814908259 (1.78364e-07% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 910: trace = 2.449292812393064 (1.02691e-07% change)
linmin: converged after 4 iterations.
iteration 911: trace = 2.449292810570963 (7.43929e-08% change)
linmin: converged after 4 iterations.
iteration 912: trace = 2.449292808084921 (1.015e-07% change)
linmin: converged after 3 iterations.
iteration 913: trace = 2.449292806858005 (5.00927e-08% change)
linmin: converged after 7 iterations.
iteration 914: trace = 2.449292806344212 (2.09772e-08% change)
linmin: converged after 2 iterations.
iteration 915: trace = 2.449292805675946 (2.7284e-08% change)
linmin: converged after 8 iterations.
iteration 916: trace = 2.449292805068025 (2.48203e-08% change)
linmin: converged after 2 iterations.
iteration 917: trace = 2.449292804596136 (1.92664e-08% change)
large trace change predicted (4.07602e-08%)
linmin: converged after 4 iterations.
iteration 918: trace = 2.449292803597798 (4.07602e-08% change)
linmin: converged after 20 iterations.
iteration 919: trace = 2.449292803399901 (8.07975e-09% change)
large trace change predicted (1.9408e-08%)
linmin: converged after 4 iterations.
iteration 920: trace = 2.449292802924537 (1.94082e-08% change)
linmin: converged after 4 iterations.
iteration 921: trace = 2.449292802465405 (1.87455e-08% change)
linmin: converged after 24 iterations.
iteration 922: trace = 2.449292802340246 (5.10997e-09% change)
large trace change predicted (1.44896e-08%)
linmin: converged after 5 iterations.
iteration 923: trace = 2.449292801985368 (1.4489e-08% change)
linmin: converged after 4 iterations.
iteration 924: trace = 2.449292801428902 (2.27195e-08% change)
linmin: converged after 4 iterations.
iteration 925: trace = 2.449292801204366 (9.16738e-09% change)
large trace change predicted (3.11662e-08%)
linmin: converged after 5 iterations.
iteration 926: trace = 2.449292800441025 (3.11658e-08% change)
linmin: converged after 4 iterations.
iteration 927: trace = 2.449292799791718 (2.651e-08% change)
linmin: converged after 3 iterations.
iteration 928: trace = 2.449292799491786 (1.22457e-08% change)
large trace change predicted (2.89188e-08%)
linmin: converged after 6 iterations.
iteration 929: trace = 2.449292798783482 (2.89187e-08% change)
linmin: converged after 4 iterations.
iteration 930: trace = 2.449292797840208 (3.85121e-08% change)
linmin: converged after 9 iterations.
iteration 931: trace = 2.449292797400267 (1.7962e-08% change)
linmin: converged after 4 iterations.
iteration 932: trace = 2.449292796885245 (2.10273e-08% change)
linmin: converged after 4 iterations.
iteration 933: trace = 2.449292796132202 (3.07453e-08% change)
linmin: converged after 2 iterations.
iteration 934: trace = 2.449292795931357 (8.20013e-09% change)
large trace change predicted (3.19787e-08%)
linmin: converged after 9 iterations.
iteration 935: trace = 2.44929279514811 (3.19785e-08% change)
linmin: converged after 7 iterations.
iteration 936: trace = 2.449292794493852 (2.67121e-08% change)
linmin: converged after 4 iterations.
iteration 937: trace = 2.449292794030775 (1.89065e-08% change)
linmin: converged after 4 iterations.
iteration 938: trace = 2.44929279386145 (6.91324e-09% change)
large trace change predicted (2.03651e-08%)
linmin: converged after 6 iterations.
iteration 939: trace = 2.449292793362641 (2.03654e-08% change)
linmin: converged after 2 iterations.
iteration 940: trace = 2.449292793128961 (9.5407e-09% change)
linmin: converged after 4 iterations.
iteration 941: trace = 2.449292792997828 (5.35391e-09% change)
linmin: converged after 3 iterations.
iteration 942: trace = 2.449292792763263 (9.57684e-09% change)
linmin: converged after 4 iterations.
iteration 943: trace = 2.44929279237176 (1.59843e-08% change)
linmin: converged after 4 iterations.
iteration 944: trace = 2.449292792190978 (7.38103e-09% change)
large trace change predicted (1.71223e-08%)
linmin: converged after 6 iterations.
iteration 945: trace = 2.449292791771602 (1.71223e-08% change)
linmin: converged after 6 iterations.
iteration 946: trace = 2.449292791299036 (1.9294e-08% change)
linmin: converged after 4 iterations.
iteration 947: trace = 2.449292791119835 (7.31644e-09% change)
large trace change predicted (2.17749e-08%)
linmin: converged after 3 iterations.
iteration 948: trace = 2.449292790586502 (2.1775e-08% change)
linmin: converged after 4 iterations.
iteration 949: trace = 2.449292790121263 (1.89948e-08% change)
linmin: converged after 2 iterations.
iteration 950: trace = 2.449292789926099 (7.96815e-09% change)
linmin: converged after 8 iterations.
iteration 951: trace = 2.449292789538755 (1.58145e-08% change)
linmin: converged after 10 iterations.
iteration 952: trace = 2.449292789140467 (1.62614e-08% change)
linmin: converged after 6 iterations.
iteration 953: trace = 2.449292788976283 (6.70331e-09% change)
linmin: converged after 22 iterations.
iteration 954: trace = 2.449292788681762 (1.20247e-08% change)
large trace change predicted (2.62115e-08%)
linmin: converged after 4 iterations.
iteration 955: trace = 2.449292788039787 (2.62106e-08% change)
linmin: converged after 6 iterations.
iteration 956: trace = 2.449292787913581 (5.15276e-09% change)
large trace change predicted (1.67446e-08%)
linmin: converged after 4 iterations.
iteration 957: trace = 2.449292787503457 (1.67446e-08% change)
linmin: converged after 4 iterations.
iteration 958: trace = 2.449292787290118 (8.71022e-09% change)
linmin: converged after 4 iterations.
iteration 959: trace = 2.449292787196471 (3.82344e-09% change)
large trace change predicted (9.18532e-09%)
linmin: converged after 5 iterations.
iteration 960: trace = 2.449292786971499 (9.18517e-09% change)
linmin: converged after 4 iterations.
iteration 961: trace = 2.449292786682367 (1.18047e-08% change)
linmin: converged after 4 iterations.
iteration 962: trace = 2.449292786570358 (4.57312e-09% change)
large trace change predicted (1.07073e-08%)
linmin: converged after 4 iterations.
iteration 963: trace = 2.449292786308102 (1.07074e-08% change)
linmin: converged after 4 iterations.
iteration 964: trace = 2.449292786049144 (1.05728e-08% change)
linmin: converged after 4 iterations.
iteration 965: trace = 2.449292785911144 (5.63427e-09% change)
large trace change predicted (1.4625e-08%)
linmin: converged after 17 iterations.
iteration 966: trace = 2.449292785552943 (1.46247e-08% change)
linmin: converged after 4 iterations.
iteration 967: trace = 2.449292785055311 (2.03174e-08% change)
linmin: converged after 5 iterations.
iteration 968: trace = 2.449292784832112 (9.11282e-09% change)
linmin: converged after 4 iterations.
iteration 969: trace = 2.44929278463757 (7.94275e-09% change)
linmin: converged after 4 iterations.
iteration 970: trace = 2.449292784386425 (1.02538e-08% change)
linmin: converged after 5 iterations.
iteration 971: trace = 2.449292784060509 (1.33066e-08% change)
linmin: converged after 6 iterations.
iteration 972: trace = 2.449292783980661 (3.26003e-09% change)
large trace change predicted (1.10923e-08%)
linmin: converged after 18 iterations.
iteration 973: trace = 2.449292783708979 (1.10923e-08% change)
linmin: converged after 13 iterations.
iteration 974: trace = 2.44929278345733 (1.02743e-08% change)
linmin: converged after 4 iterations.
iteration 975: trace = 2.449292783338016 (4.87138e-09% change)
large trace change predicted (1.2259e-08%)
linmin: converged after 4 iterations.
iteration 976: trace = 2.449292783037754 (1.22591e-08% change)
linmin: converged after 20 iterations.
iteration 977: trace = 2.449292782924272 (4.63326e-09% change)
linmin: converged after 5 iterations.
iteration 978: trace = 2.449292782877337 (1.91626e-09% change)
linmin: converged after 4 iterations.
iteration 979: trace = 2.449292782801074 (3.11367e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 980: trace = 2.449292782736586 (2.63292e-09% change)
linmin: converged after 4 iterations.
iteration 981: trace = 2.449292782706129 (1.24352e-09% change)
large trace change predicted (4.40222e-09%)
linmin: converged after 5 iterations.
iteration 982: trace = 2.449292782598297 (4.40258e-09% change)
linmin: converged after 15 iterations.
iteration 983: trace = 2.449292782386536 (8.64581e-09% change)
linmin: converged after 5 iterations.
iteration 984: trace = 2.449292782280218 (4.34075e-09% change)
large trace change predicted (1.06397e-08%)
linmin: converged after 4 iterations.
iteration 985: trace = 2.44929278201962 (1.06398e-08% change)
linmin: converged after 22 iterations.
iteration 986: trace = 2.449292781781561 (9.71948e-09% change)
linmin: converged after 17 iterations.
iteration 987: trace = 2.44929278169817 (3.40468e-09% change)
large trace change predicted (1.20999e-08%)
linmin: converged after 4 iterations.
iteration 988: trace = 2.449292781401811 (1.20998e-08% change)
linmin: converged after 4 iterations.
iteration 989: trace = 2.449292781260783 (5.75789e-09% change)
linmin: converged after 15 iterations.
iteration 990: trace = 2.449292781153036 (4.39911e-09% change)
large trace change predicted (1.05717e-08%)
linmin: converged after 4 iterations.
iteration 991: trace = 2.449292780894103 (1.05718e-08% change)
linmin: converged after 4 iterations.
iteration 992: trace = 2.449292780607391 (1.17059e-08% change)
linmin: converged after 9 iterations.
iteration 993: trace = 2.449292780455747 (6.19132e-09% change)
linmin: converged after 4 iterations.
iteration 994: trace = 2.449292780160332 (1.20613e-08% change)
linmin: converged after 4 iterations.
iteration 995: trace = 2.449292779996815 (6.67606e-09% change)
linmin: converged after 8 iterations.
iteration 996: trace = 2.449292779835605 (6.58192e-09% change)
linmin: converged after 5 iterations.
iteration 997: trace = 2.449292779615555 (8.98423e-09% change)
linmin: converged after 4 iterations.
iteration 998: trace = 2.449292779407375 (8.49957e-09% change)
linmin: converged after 4 iterations.
iteration 999: trace = 2.449292779348755 (2.39337e-09% change)
large trace change predicted (7.53794e-09%)
linmin: converged after 5 iterations.
iteration 1000: trace = 2.449292779164133 (7.53775e-09% change)
linmin: converged after 4 iterations.
iteration 1001: trace = 2.449292779034311 (5.3004e-09% change)
linmin: converged after 3 iterations.
iteration 1002: trace = 2.449292778951312 (3.38869e-09% change)
large trace change predicted (1.29179e-08%)
linmin: converged after 9 iterations.
iteration 1003: trace = 2.449292778634904 (1.29183e-08% change)
linmin: converged after 2 iterations.
iteration 1004: trace = 2.449292778249367 (1.57407e-08% change)
linmin: converged after 9 iterations.
iteration 1005: trace = 2.449292778178586 (2.88988e-09% change)
large trace change predicted (9.92933e-09%)
linmin: converged after 4 iterations.
iteration 1006: trace = 2.449292777935386 (9.92938e-09% change)
linmin: converged after 5 iterations.
iteration 1007: trace = 2.449292777673786 (1.06807e-08% change)
linmin: converged after 3 iterations.
iteration 1008: trace = 2.449292777479335 (7.93905e-09% change)
linmin: converged after 7 iterations.
iteration 1009: trace = 2.449292777311001 (6.87275e-09% change)
linmin: converged after 11 iterations.
iteration 1010: trace = 2.449292777087547 (9.12321e-09% change)
linmin: converged after 7 iterations.
iteration 1011: trace = 2.449292776924163 (6.67066e-09% change)
linmin: converged after 7 iterations.
iteration 1012: trace = 2.449292776731667 (7.85924e-09% change)
linmin: converged after 7 iterations.
iteration 1013: trace = 2.449292776449633 (1.15149e-08% change)
linmin: converged after 5 iterations.
iteration 1014: trace = 2.449292776244336 (8.38188e-09% change)
linmin: converged after 18 iterations.
iteration 1015: trace = 2.449292776098047 (5.97273e-09% change)
linmin: converged after 4 iterations.
iteration 1016: trace = 2.44929277588989 (8.49862e-09% change)
linmin: converged after 4 iterations.
iteration 1017: trace = 2.449292775788705 (4.1312e-09% change)
linmin: converged after 16 iterations.
iteration 1018: trace = 2.449292775740269 (1.97755e-09% change)
large trace change predicted (6.09887e-09%)
linmin: converged after 4 iterations.
iteration 1019: trace = 2.449292775590888 (6.09896e-09% change)
linmin: converged after 6 iterations.
iteration 1020: trace = 2.449292775459265 (5.37393e-09% change)
linmin: converged after 4 iterations.
iteration 1021: trace = 2.449292775319269 (5.71575e-09% change)
large trace change predicted (1.17394e-08%)
linmin: converged after 4 iterations.
iteration 1022: trace = 2.449292775031733 (1.17395e-08% change)
linmin: converged after 4 iterations.
iteration 1023: trace = 2.449292774727794 (1.24093e-08% change)
linmin: converged after 3 iterations.
iteration 1024: trace = 2.4492927746411 (3.53952e-09% change)
large trace change predicted (1.7448e-08%)
linmin: converged after 4 iterations.
iteration 1025: trace = 2.449292774213753 (1.74478e-08% change)
linmin: converged after 18 iterations.
iteration 1026: trace = 2.449292773988128 (9.21187e-09% change)
linmin: converged after 3 iterations.
iteration 1027: trace = 2.449292773860159 (5.2247e-09% change)
large trace change predicted (1.10361e-08%)
linmin: converged after 5 iterations.
iteration 1028: trace = 2.449292773589856 (1.1036e-08% change)
linmin: converged after 12 iterations.
iteration 1029: trace = 2.449292773127269 (1.88866e-08% change)
linmin: converged after 7 iterations.
iteration 1030: trace = 2.449292773046314 (3.30523e-09% change)
large trace change predicted (1.46883e-08%)
linmin: converged after 19 iterations.
iteration 1031: trace = 2.449292772686544 (1.46887e-08% change)
linmin: converged after 12 iterations.
iteration 1032: trace = 2.449292772447815 (9.74686e-09% change)
linmin: converged after 4 iterations.
iteration 1033: trace = 2.449292772363141 (3.45708e-09% change)
large trace change predicted (1.02046e-08%)
linmin: converged after 4 iterations.
iteration 1034: trace = 2.449292772113195 (1.02048e-08% change)
linmin: converged after 4 iterations.
iteration 1035: trace = 2.449292771901972 (8.62384e-09% change)
linmin: converged after 15 iterations.
iteration 1036: trace = 2.449292771859989 (1.71412e-09% change)
large trace change predicted (4.99843e-09%)
linmin: converged after 4 iterations.
iteration 1037: trace = 2.449292771737559 (4.99855e-09% change)
linmin: converged after 11 iterations.
iteration 1038: trace = 2.449292771574586 (6.65389e-09% change)
linmin: converged after 4 iterations.
iteration 1039: trace = 2.449292771444928 (5.29371e-09% change)
linmin: converged after 17 iterations.
iteration 1040: trace = 2.449292771376859 (2.77911e-09% change)
large trace change predicted (1.16963e-08%)
linmin: converged after 2 iterations.
iteration 1041: trace = 2.449292771090374 (1.16967e-08% change)
linmin: converged after 17 iterations.
iteration 1042: trace = 2.449292770860522 (9.38441e-09% change)
linmin: converged after 4 iterations.
iteration 1043: trace = 2.449292770740974 (4.8809e-09% change)
linmin: converged after 4 iterations.
iteration 1044: trace = 2.449292770522123 (8.93528e-09% change)
linmin: converged after 3 iterations.
iteration 1045: trace = 2.449292770200719 (1.31223e-08% change)
linmin: converged after 3 iterations.
iteration 1046: trace = 2.44929277003367 (6.8203e-09% change)
large trace change predicted (2.04497e-08%)
linmin: converged after 6 iterations.
iteration 1047: trace = 2.449292769532792 (2.04499e-08% change)
linmin: converged after 5 iterations.
iteration 1048: trace = 2.449292769219966 (1.27721e-08% change)
linmin: converged after 4 iterations.
iteration 1049: trace = 2.44929276879008 (1.75514e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1050: trace = 2.449292768390965 (1.62951e-08% change)
linmin: converged after 6 iterations.
iteration 1051: trace = 2.449292768128785 (1.07043e-08% change)
linmin: converged after 12 iterations.
iteration 1052: trace = 2.449292767724566 (1.65035e-08% change)
linmin: converged after 9 iterations.
iteration 1053: trace = 2.449292767603756 (4.93243e-09% change)
large trace change predicted (1.02129e-08%)
linmin: converged after 10 iterations.
iteration 1054: trace = 2.449292767353613 (1.02129e-08% change)
linmin: converged after 4 iterations.
iteration 1055: trace = 2.449292767190382 (6.6644e-09% change)
linmin: converged after 27 iterations.
iteration 1056: trace = 2.449292767108253 (3.35317e-09% change)
linmin: converged after 4 iterations.
iteration 1057: trace = 2.449292766948267 (6.53192e-09% change)
linmin: converged after 3 iterations.
iteration 1058: trace = 2.44929276676254 (7.5829e-09% change)
linmin: converged after 4 iterations.
iteration 1059: trace = 2.449292766721548 (1.67361e-09% change)
large trace change predicted (3.82108e-09%)
linmin: converged after 3 iterations.
iteration 1060: trace = 2.44929276662795 (3.82145e-09% change)
linmin: converged after 3 iterations.
iteration 1061: trace = 2.449292766522554 (4.30313e-09% change)
linmin: converged after 6 iterations.
iteration 1062: trace = 2.449292766486206 (1.48401e-09% change)
large trace change predicted (3.15479e-09%)
linmin: converged after 5 iterations.
iteration 1063: trace = 2.449292766408937 (3.15472e-09% change)
linmin: converged after 5 iterations.
iteration 1064: trace = 2.449292766281056 (5.22115e-09% change)
linmin: converged after 18 iterations.
iteration 1065: trace = 2.449292766234763 (1.89005e-09% change)
large trace change predicted (6.12863e-09%)
linmin: converged after 4 iterations.
iteration 1066: trace = 2.449292766084668 (6.12813e-09% change)
linmin: converged after 4 iterations.
iteration 1067: trace = 2.449292765939092 (5.94356e-09% change)
linmin: converged after 4 iterations.
iteration 1068: trace = 2.449292765766888 (7.03078e-09% change)
linmin: converged after 5 iterations.
iteration 1069: trace = 2.449292765695915 (2.89769e-09% change)
large trace change predicted (8.797e-09%)
linmin: converged after 4 iterations.
iteration 1070: trace = 2.449292765480459 (8.79665e-09% change)
linmin: converged after 15 iterations.
iteration 1071: trace = 2.449292765362018 (4.83571e-09% change)
linmin: converged after 8 iterations.
iteration 1072: trace = 2.449292765301362 (2.4765e-09% change)
large trace change predicted (5.04e-09%)
linmin: converged after 24 iterations.
iteration 1073: trace = 2.449292765177919 (5.03993e-09% change)
linmin: converged after 13 iterations.
iteration 1074: trace = 2.44929276508768 (3.6843e-09% change)
linmin: converged after 4 iterations.
iteration 1075: trace = 2.449292764952729 (5.5098e-09% change)
linmin: converged after 4 iterations.
iteration 1076: trace = 2.449292764804856 (6.03735e-09% change)
linmin: converged after 10 iterations.
iteration 1077: trace = 2.449292764759179 (1.86492e-09% change)
linmin: converged after 4 iterations.
iteration 1078: trace = 2.449292764670067 (3.63829e-09% change)
linmin: converged after 5 iterations.
iteration 1079: trace = 2.449292764576132 (3.83516e-09% change)
linmin: converged after 20 iterations.
iteration 1080: trace = 2.449292764508781 (2.74985e-09% change)
linmin: converged after 4 iterations.
iteration 1081: trace = 2.44929276448999 (7.67173e-10% change)
large trace change predicted (2.00185e-09%)
linmin: converged after 4 iterations.
iteration 1082: trace = 2.449292764440962 (2.00172e-09% change)
linmin: converged after 3 iterations.
iteration 1083: trace = 2.449292764352703 (3.60347e-09% change)
linmin: converged after 6 iterations.
iteration 1084: trace = 2.449292764319538 (1.35407e-09% change)
large trace change predicted (4.4461e-09%)
linmin: converged after 2 iterations.
iteration 1085: trace = 2.449292764210626 (4.44665e-09% change)
linmin: converged after 8 iterations.
iteration 1086: trace = 2.449292764104184 (4.34582e-09% change)
linmin: converged after 6 iterations.
iteration 1087: trace = 2.449292764040278 (2.60915e-09% change)
linmin: converged after 6 iterations.
iteration 1088: trace = 2.449292763952479 (3.58469e-09% change)
linmin: converged after 4 iterations.
iteration 1089: trace = 2.449292763865729 (3.54185e-09% change)
linmin: converged after 20 iterations.
iteration 1090: trace = 2.449292763825361 (1.64816e-09% change)
large trace change predicted (3.82418e-09%)
linmin: converged after 10 iterations.
iteration 1091: trace = 2.449292763731694 (3.82424e-09% change)
linmin: converged after 5 iterations.
iteration 1092: trace = 2.449292763656467 (3.07137e-09% change)
linmin: converged after 18 iterations.
iteration 1093: trace = 2.449292763623592 (1.34223e-09% change)
large trace change predicted (2.95482e-09%)
linmin: converged after 9 iterations.
iteration 1094: trace = 2.449292763551219 (2.95484e-09% change)
linmin: converged after 14 iterations.
iteration 1095: trace = 2.44929276342259 (5.25168e-09% change)
linmin: converged after 3 iterations.
iteration 1096: trace = 2.449292763402339 (8.26788e-10% change)
large trace change predicted (3.71481e-09%)
linmin: converged after 3 iterations.
iteration 1097: trace = 2.449292763311348 (3.715e-09% change)
linmin: converged after 3 iterations.
iteration 1098: trace = 2.449292763266317 (1.83855e-09% change)
linmin: converged after 13 iterations.
iteration 1099: trace = 2.44929276323546 (1.25984e-09% change)
linmin: converged after 9 iterations.
iteration 1100: trace = 2.449292763202825 (1.33242e-09% change)
large trace change predicted (2.87019e-09%)
linmin: converged after 12 iterations.
iteration 1101: trace = 2.449292763132513 (2.87071e-09% change)
linmin: converged after 4 iterations.
iteration 1102: trace = 2.449292763104338 (1.15031e-09% change)
linmin: converged after 4 iterations.
iteration 1103: trace = 2.449292763058433 (1.87423e-09% change)
linmin: converged after 2 iterations.
iteration 1104: trace = 2.449292762984287 (3.02724e-09% change)
linmin: converged after 3 iterations.
iteration 1105: trace = 2.449292762938214 (1.88107e-09% change)
linmin: converged after 5 iterations.
iteration 1106: trace = 2.449292762890886 (1.93229e-09% change)
large trace change predicted (4.35628e-09%)
linmin: converged after 5 iterations.
iteration 1107: trace = 2.449292762784181 (4.35659e-09% change)
linmin: converged after 6 iterations.
iteration 1108: trace = 2.449292762726238 (2.36568e-09% change)
linmin: converged after 13 iterations.
iteration 1109: trace = 2.449292762693443 (1.33894e-09% change)
linmin: converged after 14 iterations.
iteration 1110: trace = 2.449292762642759 (2.06933e-09% change)
linmin: converged after 3 iterations.
iteration 1111: trace = 2.449292762605331 (1.52813e-09% change)
linmin: converged after 20 iterations.
iteration 1112: trace = 2.449292762561192 (1.80213e-09% change)
linmin: converged after 5 iterations.
iteration 1113: trace = 2.449292762488975 (2.94846e-09% change)
linmin: converged after 4 iterations.
iteration 1114: trace = 2.449292762463506 (1.03987e-09% change)
large trace change predicted (2.25058e-09%)
linmin: converged after 4 iterations.
iteration 1115: trace = 2.449292762408382 (2.25061e-09% change)
linmin: converged after 4 iterations.
iteration 1116: trace = 2.449292762349442 (2.40641e-09% change)
linmin: converged after 6 iterations.
iteration 1117: trace = 2.449292762320745 (1.17163e-09% change)
linmin: converged after 4 iterations.
iteration 1118: trace = 2.449292762312784 (3.25058e-10% change)
linmin: converged after 6 iterations.
iteration 1119: trace = 2.449292762302037 (4.3876e-10% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1120: trace = 2.449292762291865 (4.15316e-10% change)
linmin: converged after 7 iterations.
iteration 1121: trace = 2.449292762284672 (2.93691e-10% change)
large trace change predicted (1.05281e-09%)
linmin: converged after 5 iterations.
iteration 1122: trace = 2.449292762258884 (1.05285e-09% change)
linmin: converged after 5 iterations.
iteration 1123: trace = 2.449292762239086 (8.08331e-10% change)
large trace change predicted (1.78475e-09%)
linmin: converged after 4 iterations.
iteration 1124: trace = 2.449292762195369 (1.78488e-09% change)
linmin: converged after 6 iterations.
iteration 1125: trace = 2.449292762138346 (2.32815e-09% change)
linmin: converged after 15 iterations.
iteration 1126: trace = 2.449292762099618 (1.58116e-09% change)
linmin: converged after 7 iterations.
iteration 1127: trace = 2.4492927620664 (1.35622e-09% change)
linmin: converged after 4 iterations.
iteration 1128: trace = 2.449292762003416 (2.57155e-09% change)
linmin: converged after 12 iterations.
iteration 1129: trace = 2.449292761979819 (9.63408e-10% change)
linmin: converged after 6 iterations.
iteration 1130: trace = 2.44929276195271 (1.10683e-09% change)
large trace change predicted (2.50833e-09%)
linmin: converged after 16 iterations.
iteration 1131: trace = 2.449292761891278 (2.50812e-09% change)
linmin: converged after 15 iterations.
iteration 1132: trace = 2.449292761857699 (1.37098e-09% change)
linmin: converged after 24 iterations.
iteration 1133: trace = 2.449292761796992 (2.47857e-09% change)
linmin: converged after 4 iterations.
iteration 1134: trace = 2.449292761732873 (2.61785e-09% change)
linmin: converged after 9 iterations.
iteration 1135: trace = 2.449292761700014 (1.34155e-09% change)
linmin: converged after 13 iterations.
iteration 1136: trace = 2.449292761662959 (1.51288e-09% change)
linmin: converged after 16 iterations.
iteration 1137: trace = 2.449292761615074 (1.95506e-09% change)
linmin: converged after 4 iterations.
iteration 1138: trace = 2.449292761584487 (1.24879e-09% change)
linmin: converged after 9 iterations.
iteration 1139: trace = 2.449292761555222 (1.19485e-09% change)
linmin: converged after 17 iterations.
iteration 1140: trace = 2.449292761518958 (1.48059e-09% change)
linmin: converged after 15 iterations.
iteration 1141: trace = 2.449292761490439 (1.16436e-09% change)
linmin: converged after 6 iterations.
iteration 1142: trace = 2.44929276147636 (5.74817e-10% change)
large trace change predicted (2.78319e-09%)
linmin: converged after 18 iterations.
iteration 1143: trace = 2.44929276140819 (2.78327e-09% change)
linmin: converged after 16 iterations.
iteration 1144: trace = 2.449292761345009 (2.57956e-09% change)
linmin: converged after 4 iterations.
iteration 1145: trace = 2.44929276131443 (1.2485e-09% change)
linmin: converged after 4 iterations.
iteration 1146: trace = 2.449292761266779 (1.94549e-09% change)
linmin: converged after 4 iterations.
iteration 1147: trace = 2.449292761203063 (2.60139e-09% change)
linmin: converged after 10 iterations.
iteration 1148: trace = 2.449292761177097 (1.06014e-09% change)
linmin: converged after 11 iterations.
iteration 1149: trace = 2.449292761128534 (1.98275e-09% change)
linmin: converged after 3 iterations.
iteration 1150: trace = 2.449292761081884 (1.90462e-09% change)
linmin: converged after 8 iterations.
iteration 1151: trace = 2.449292761013441 (2.7944e-09% change)
linmin: converged after 4 iterations.
iteration 1152: trace = 2.449292760995565 (7.2984e-10% change)
large trace change predicted (2.3726e-09%)
linmin: converged after 4 iterations.
iteration 1153: trace = 2.449292760937457 (2.37245e-09% change)
linmin: converged after 7 iterations.
iteration 1154: trace = 2.449292760879771 (2.35519e-09% change)
linmin: converged after 6 iterations.
iteration 1155: trace = 2.449292760859085 (8.44575e-10% change)
large trace change predicted (1.70114e-09%)
linmin: converged after 3 iterations.
iteration 1156: trace = 2.449292760817419 (1.70117e-09% change)
linmin: converged after 3 iterations.
iteration 1157: trace = 2.449292760786551 (1.26027e-09% change)
linmin: converged after 7 iterations.
iteration 1158: trace = 2.449292760777601 (3.65419e-10% change)
large trace change predicted (1.36693e-09%)
linmin: converged after 20 iterations.
iteration 1159: trace = 2.449292760744122 (1.36688e-09% change)
linmin: converged after 4 iterations.
iteration 1160: trace = 2.449292760698735 (1.85304e-09% change)
linmin: converged after 18 iterations.
iteration 1161: trace = 2.449292760682941 (6.44841e-10% change)
large trace change predicted (2.22976e-09%)
linmin: converged after 14 iterations.
iteration 1162: trace = 2.449292760628325 (2.22986e-09% change)
linmin: converged after 6 iterations.
iteration 1163: trace = 2.449292760553186 (3.0678e-09% change)
linmin: converged after 15 iterations.
iteration 1164: trace = 2.449292760530432 (9.29013e-10% change)
large trace change predicted (3.35936e-09%)
linmin: converged after 4 iterations.
iteration 1165: trace = 2.449292760448156 (3.35917e-09% change)
linmin: converged after 12 iterations.
iteration 1166: trace = 2.449292760405035 (1.76053e-09% change)
linmin: converged after 3 iterations.
iteration 1167: trace = 2.44929276038233 (9.27018e-10% change)
large trace change predicted (2.74379e-09%)
linmin: converged after 2 iterations.
iteration 1168: trace = 2.449292760315133 (2.74351e-09% change)
linmin: converged after 5 iterations.
iteration 1169: trace = 2.449292760232028 (3.39302e-09% change)
linmin: converged after 13 iterations.
iteration 1170: trace = 2.449292760210748 (8.68835e-10% change)
large trace change predicted (3.21979e-09%)
linmin: converged after 4 iterations.
iteration 1171: trace = 2.449292760131882 (3.21994e-09% change)
linmin: converged after 7 iterations.
iteration 1172: trace = 2.44929276007937 (2.14397e-09% change)
linmin: converged after 4 iterations.
iteration 1173: trace = 2.449292760040843 (1.57298e-09% change)
linmin: converged after 21 iterations.
iteration 1174: trace = 2.449292760008499 (1.32054e-09% change)
linmin: converged after 5 iterations.
iteration 1175: trace = 2.449292759963597 (1.83328e-09% change)
linmin: converged after 7 iterations.
iteration 1176: trace = 2.449292759941327 (9.09232e-10% change)
linmin: converged after 4 iterations.
iteration 1177: trace = 2.449292759930403 (4.45994e-10% change)
large trace change predicted (1.26368e-09%)
linmin: converged after 4 iterations.
iteration 1178: trace = 2.449292759899457 (1.26346e-09% change)
linmin: converged after 3 iterations.
iteration 1179: trace = 2.449292759856346 (1.76015e-09% change)
linmin: converged after 4 iterations.
iteration 1180: trace = 2.449292759834289 (9.00547e-10% change)
large trace change predicted (1.90927e-09%)
linmin: converged after 15 iterations.
iteration 1181: trace = 2.44929275978753 (1.90907e-09% change)
linmin: converged after 5 iterations.
iteration 1182: trace = 2.449292759740735 (1.91055e-09% change)
linmin: converged after 13 iterations.
iteration 1183: trace = 2.449292759716291 (9.98021e-10% change)
large trace change predicted (2.04248e-09%)
linmin: converged after 13 iterations.
iteration 1184: trace = 2.449292759666267 (2.0424e-09% change)
linmin: converged after 5 iterations.
iteration 1185: trace = 2.449292759589927 (3.11681e-09% change)
linmin: converged after 13 iterations.
iteration 1186: trace = 2.449292759560856 (1.18689e-09% change)
large trace change predicted (4.22091e-09%)
linmin: converged after 21 iterations.
iteration 1187: trace = 2.449292759457477 (4.22079e-09% change)
linmin: converged after 9 iterations.
iteration 1188: trace = 2.449292759355255 (4.17352e-09% change)
linmin: converged after 2 iterations.
iteration 1189: trace = 2.449292759285013 (2.86783e-09% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 1190: trace = 2.449292759218539 (2.71404e-09% change)
linmin: converged after 4 iterations.
iteration 1191: trace = 2.449292759131809 (3.54101e-09% change)
linmin: converged after 9 iterations.
iteration 1192: trace = 2.449292759050741 (3.30986e-09% change)
linmin: converged after 16 iterations.
iteration 1193: trace = 2.449292759029729 (8.57884e-10% change)
large trace change predicted (2.32367e-09%)
linmin: converged after 22 iterations.
iteration 1194: trace = 2.449292758972808 (2.32396e-09% change)
linmin: converged after 3 iterations.
iteration 1195: trace = 2.449292758938468 (1.40204e-09% change)
linmin: converged after 4 iterations.
iteration 1196: trace = 2.449292758921942 (6.74739e-10% change)
large trace change predicted (1.40069e-09%)
linmin: converged after 14 iterations.
iteration 1197: trace = 2.449292758887621 (1.40124e-09% change)
linmin: converged after 7 iterations.
iteration 1198: trace = 2.449292758857818 (1.21681e-09% change)
linmin: converged after 12 iterations.
iteration 1199: trace = 2.449292758842747 (6.15305e-10% change)
linmin: converged after 6 iterations.
iteration 1200: trace = 2.44929275881523 (1.12349e-09% change)
linmin: converged after 13 iterations.
iteration 1201: trace = 2.449292758799249 (6.52438e-10% change)
linmin: converged after 3 iterations.
iteration 1202: trace = 2.449292758789549 (3.96043e-10% change)
large trace change predicted (7.98141e-10%)
linmin: converged after 6 iterations.
iteration 1203: trace = 2.449292758770009 (7.97796e-10% change)
linmin: converged after 8 iterations.
iteration 1204: trace = 2.449292758745472 (1.00177e-09% change)
linmin: converged after 4 iterations.
iteration 1205: trace = 2.449292758734434 (4.50672e-10% change)
large trace change predicted (1.46401e-09%)
linmin: converged after 3 iterations.
iteration 1206: trace = 2.449292758698573 (1.46414e-09% change)
linmin: converged after 20 iterations.
iteration 1207: trace = 2.449292758672931 (1.0469e-09% change)
linmin: converged after 5 iterations.
iteration 1208: trace = 2.449292758659811 (5.35672e-10% change)
large trace change predicted (1.8051e-09%)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.449292758615584 (1.80572e-09% change)
linmin: converged after 4 iterations.
iteration 1210: trace = 2.449292758578577 (1.51092e-09% change)
linmin: converged after 3 iterations.
iteration 1211: trace = 2.449292758562544 (6.54613e-10% change)
linmin: converged after 4 iterations.
iteration 1212: trace = 2.449292758539975 (9.21434e-10% change)
linmin: converged after 9 iterations.
iteration 1213: trace = 2.449292758509836 (1.23052e-09% change)
linmin: converged after 4 iterations.
iteration 1214: trace = 2.449292758496518 (5.43758e-10% change)
large trace change predicted (1.43e-09%)
linmin: converged after 19 iterations.
iteration 1215: trace = 2.449292758461497 (1.42985e-09% change)
linmin: converged after 2 iterations.
iteration 1216: trace = 2.449292758430115 (1.28123e-09% change)
linmin: converged after 4 iterations.
iteration 1217: trace = 2.449292758407654 (9.17064e-10% change)
linmin: converged after 12 iterations.
iteration 1218: trace = 2.449292758400862 (2.773e-10% change)
large trace change predicted (7.07646e-10%)
linmin: converged after 14 iterations.
iteration 1219: trace = 2.449292758383526 (7.07811e-10% change)
linmin: converged after 7 iterations.
iteration 1220: trace = 2.449292758371622 (4.85992e-10% change)
linmin: converged after 15 iterations.
iteration 1221: trace = 2.449292758365863 (2.35127e-10% change)
linmin: converged after 7 iterations.
iteration 1222: trace = 2.449292758355705 (4.14736e-10% change)
large trace change predicted (8.94645e-10%)
linmin: converged after 7 iterations.
iteration 1223: trace = 2.449292758333799 (8.944e-10% change)
linmin: converged after 4 iterations.
iteration 1224: trace = 2.449292758328047 (2.34819e-10% change)
large trace change predicted (1.15853e-09%)
linmin: converged after 4 iterations.
iteration 1225: trace = 2.449292758299672 (1.1585e-09% change)
linmin: converged after 6 iterations.
iteration 1226: trace = 2.449292758276 (9.6649e-10% change)
linmin: converged after 3 iterations.
iteration 1227: trace = 2.449292758261559 (5.89613e-10% change)
linmin: converged after 5 iterations.
iteration 1228: trace = 2.449292758244133 (7.11473e-10% change)
linmin: converged after 9 iterations.
iteration 1229: trace = 2.44929275822446 (8.032e-10% change)
linmin: converged after 6 iterations.
iteration 1230: trace = 2.449292758203113 (8.71536e-10% change)
linmin: converged after 4 iterations.
iteration 1231: trace = 2.449292758196083 (2.87019e-10% change)
large trace change predicted (7.16027e-10%)
linmin: converged after 2 iterations.
iteration 1232: trace = 2.449292758178548 (7.15952e-10% change)
linmin: converged after 4 iterations.
iteration 1233: trace = 2.449292758161216 (7.07611e-10% change)
linmin: converged after 12 iterations.
iteration 1234: trace = 2.449292758156217 (2.04122e-10% change)
large trace change predicted (1.09127e-09%)
linmin: converged after 4 iterations.
iteration 1235: trace = 2.4492927581295 (1.0908e-09% change)
linmin: converged after 15 iterations.
iteration 1236: trace = 2.449292758121641 (3.20852e-10% change)
linmin: converged after 8 iterations.
iteration 1237: trace = 2.44929275811068 (4.47535e-10% change)
linmin: converged after 4 iterations.
iteration 1238: trace = 2.449292758099539 (4.54861e-10% change)
linmin: converged after 4 iterations.
iteration 1239: trace = 2.449292758090224 (3.80323e-10% change)
linmin: converged after 4 iterations.
iteration 1240: trace = 2.449292758085973 (1.73535e-10% change)
large trace change predicted (6.28043e-10%)
linmin: converged after 3 iterations.
iteration 1241: trace = 2.449292758070583 (6.28377e-10% change)
linmin: converged after 3 iterations.
iteration 1242: trace = 2.449292758061384 (3.75572e-10% change)
linmin: converged after 4 iterations.
iteration 1243: trace = 2.449292758053819 (3.08867e-10% change)
large trace change predicted (6.64039e-10%)
linmin: converged after 13 iterations.
iteration 1244: trace = 2.449292758037557 (6.63915e-10% change)
linmin: converged after 3 iterations.
iteration 1245: trace = 2.449292758021907 (6.38984e-10% change)
linmin: converged after 9 iterations.
iteration 1246: trace = 2.449292758016809 (2.08148e-10% change)
large trace change predicted (8.29566e-10%)
linmin: converged after 20 iterations.
iteration 1247: trace = 2.449292757996488 (8.29635e-10% change)
linmin: converged after 6 iterations.
iteration 1248: trace = 2.449292757980615 (6.48068e-10% change)
linmin: converged after 4 iterations.
iteration 1249: trace = 2.449292757975114 (2.24593e-10% change)
large trace change predicted (4.63414e-10%)
linmin: converged after 3 iterations.
iteration 1250: trace = 2.449292757963765 (4.63382e-10% change)
linmin: converged after 3 iterations.
iteration 1251: trace = 2.449292757946643 (6.99071e-10% change)
linmin: converged after 9 iterations.
iteration 1252: trace = 2.449292757938912 (3.15612e-10% change)
linmin: converged after 6 iterations.
iteration 1253: trace = 2.449292757929192 (3.96858e-10% change)
linmin: converged after 4 iterations.
iteration 1254: trace = 2.449292757915849 (5.44756e-10% change)
linmin: converged after 3 iterations.
iteration 1255: trace = 2.44929275790202 (5.64646e-10% change)
linmin: converged after 14 iterations.
iteration 1256: trace = 2.449292757899889 (8.6976e-11% change)
Finished solving for bands 1 to 10 after 1256 iterations.
tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689
elapsed time for k point: 11.13221549987793
solve_kpoint (0.5,0.166667,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.515861282295907 (3.43116% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.507854158557765 (0.318773% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.499310810787176 (0.341245% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.498172896819808 (0.0455395% change)
large trace change predicted (0.100542%)
linmin: converged after 4 iterations.
iteration 5: trace = 2.495678808586637 (0.0998864% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.495170541910658 (0.0203679% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.494660849825565 (0.0204292% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.494389989065191 (0.0108582% change)
linmin: converged after 3 iterations.
iteration 9: trace = 2.49424031789044 (0.00600049% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.494053119375062 (0.00750551% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.494006769338019 (0.00185844% change)
large trace change predicted (0.00615564%)
linmin: converged after 4 iterations.
iteration 12: trace = 2.493853877784837 (0.00613055% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.493809312194493 (0.00178703% change)
large trace change predicted (0.00364815%)
linmin: converged after 4 iterations.
iteration 14: trace = 2.493718771889427 (0.00363067% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.493653536138433 (0.00261604% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.493597422138092 (0.0022503% change)
large trace change predicted (0.00494512%)
linmin: converged after 4 iterations.
iteration 17: trace = 2.493474326430524 (0.00493659% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.493424155675116 (0.0020121% change)
large trace change predicted (0.00492516%)
linmin: converged after 4 iterations.
iteration 19: trace = 2.493301749789208 (0.00490927% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.4932438532079 (0.00232211% change)
large trace change predicted (0.00472088%)
linmin: converged after 4 iterations.
iteration 21: trace = 2.493126516272597 (0.00470631% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.493032139438212 (0.00378555% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.492931229724737 (0.00404775% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.49278518304044 (0.0058586% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.492694559740675 (0.00363549% change)
linmin: converged after 17 iterations.
iteration 26: trace = 2.492556551715377 (0.00553665% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.492504492963388 (0.00208859% change)
large trace change predicted (0.00584593%)
linmin: converged after 6 iterations.
iteration 28: trace = 2.492359048235266 (0.00583545% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.492292310143891 (0.00267774% change)
linmin: converged after 3 iterations.
iteration 30: trace = 2.49220423763659 (0.00353386% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.492122038808602 (0.00329829% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.492088459826676 (0.00134741% change)
large trace change predicted (0.00374958%)
linmin: converged after 9 iterations.
iteration 33: trace = 2.491995115671979 (0.00374569% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.49197302696545 (0.00088639% change)
large trace change predicted (0.00384146%)
linmin: converged after 6 iterations.
iteration 35: trace = 2.491877397292373 (0.00383758% change)
linmin: converged after 7 iterations.
iteration 36: trace = 2.491799684776144 (0.00311868% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.491716618910476 (0.00333362% change)
large trace change predicted (0.00753755%)
linmin: converged after 6 iterations.
iteration 38: trace = 2.491529123150958 (0.00752505% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.491464407954583 (0.00259744% change)
large trace change predicted (0.00785134%)
linmin: converged after 4 iterations.
iteration 40: trace = 2.491269210816609 (0.00783494% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.491195483039992 (0.00295949% change)
linmin: converged after 4 iterations.
iteration 42: trace = 2.491085228402836 (0.00442587% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.491014733898304 (0.00282991% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.49096938109741 (0.00182067% change)
large trace change predicted (0.00538733%)
linmin: converged after 3 iterations.
iteration 45: trace = 2.49083487831414 (0.00539976% change)
linmin: converged after 11 iterations.
iteration 46: trace = 2.490789473031338 (0.00182291% change)
large trace change predicted (0.0100848%)
linmin: converged after 3 iterations.
iteration 47: trace = 2.490536447013226 (0.010159% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.490423729185779 (0.00452595% change)
linmin: converged after 3 iterations.
iteration 49: trace = 2.490250059019444 (0.00697376% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.490020787971507 (0.00920717% change)
linmin: converged after 3 iterations.
iteration 51: trace = 2.48994903099957 (0.00288182% change)
large trace change predicted (0.00946139%)
linmin: converged after 3 iterations.
iteration 52: trace = 2.489711162739711 (0.00955359% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.489658473681335 (0.00211629% change)
large trace change predicted (0.00434367%)
linmin: converged after 3 iterations.
iteration 54: trace = 2.489549877108953 (0.004362% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.489470614706369 (0.00318386% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.489407058967494 (0.00255301% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.48931509135577 (0.00369443% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.489272593598083 (0.00170722% change)
large trace change predicted (0.0035832%)
linmin: converged after 3 iterations.
iteration 59: trace = 2.489183254006914 (0.00358905% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.489147377124525 (0.00144132% change)
large trace change predicted (0.00337204%)
linmin: converged after 4 iterations.
iteration 61: trace = 2.489063365947722 (0.00337516% change)
linmin: converged after 5 iterations.
iteration 62: trace = 2.489014190975116 (0.00197566% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.488950715482929 (0.00255026% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.488865294803781 (0.00343205% change)
linmin: converged after 5 iterations.
iteration 65: trace = 2.488828943610771 (0.00146056% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.488763904884916 (0.00261326% change)
linmin: converged after 3 iterations.
iteration 67: trace = 2.488735810526342 (0.00112885% change)
large trace change predicted (0.00312848%)
linmin: converged after 6 iterations.
iteration 68: trace = 2.48865800111508 (0.00312651% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.488603317682105 (0.00219733% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 70: trace = 2.488574474557392 (0.00115902% change)
large trace change predicted (0.00249024%)
linmin: converged after 3 iterations.
iteration 71: trace = 2.488512534589992 (0.002489% change)
linmin: converged after 7 iterations.
iteration 72: trace = 2.488484799851445 (0.00111452% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.488451506537923 (0.0013379% change)
large trace change predicted (0.0031914%)
linmin: converged after 5 iterations.
iteration 74: trace = 2.488372321747332 (0.00318214% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.488356731049004 (0.000626544% change)
large trace change predicted (0.00189925%)
linmin: converged after 5 iterations.
iteration 76: trace = 2.488309524135499 (0.00189713% change)
linmin: converged after 4 iterations.
iteration 77: trace = 2.488271458079891 (0.00152981% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.488258000294219 (0.00054085% change)
large trace change predicted (0.00171372%)
linmin: converged after 4 iterations.
iteration 79: trace = 2.48821544026547 (0.00171045% change)
linmin: converged after 4 iterations.
iteration 80: trace = 2.488166258686811 (0.0019766% change)
linmin: converged after 12 iterations.
iteration 81: trace = 2.488145059919184 (0.000851987% change)
linmin: converged after 15 iterations.
iteration 82: trace = 2.488106089528181 (0.00156625% change)
linmin: converged after 4 iterations.
iteration 83: trace = 2.488066336337749 (0.00159774% change)
linmin: converged after 5 iterations.
iteration 84: trace = 2.488048633590177 (0.000711509% change)
large trace change predicted (0.00194513%)
linmin: converged after 4 iterations.
iteration 85: trace = 2.488000386622425 (0.00193917% change)
linmin: converged after 5 iterations.
iteration 86: trace = 2.487937929549748 (0.00251036% change)
linmin: converged after 5 iterations.
iteration 87: trace = 2.487919640950813 (0.000735093% change)
large trace change predicted (0.00295702%)
linmin: converged after 3 iterations.
iteration 88: trace = 2.487846115004988 (0.00295536% change)
linmin: converged after 4 iterations.
iteration 89: trace = 2.487797886704479 (0.00193858% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.487776306549805 (0.000867444% change)
large trace change predicted (0.00214995%)
linmin: converged after 3 iterations.
iteration 91: trace = 2.487722836395236 (0.00214934% change)
linmin: converged after 3 iterations.
iteration 92: trace = 2.487710813896149 (0.000483274% change)
large trace change predicted (0.00124375%)
linmin: converged after 5 iterations.
iteration 93: trace = 2.487679883120304 (0.00124335% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.487653043297854 (0.00107892% change)
linmin: converged after 3 iterations.
iteration 95: trace = 2.487630501282141 (0.00090616% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.487599175459664 (0.00125927% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.487540228048141 (0.00236968% change)
linmin: converged after 12 iterations.
iteration 98: trace = 2.487521640120572 (0.000747244% change)
linmin: converged after 4 iterations.
iteration 99: trace = 2.487493683707828 (0.00112387% change)
linmin: converged after 5 iterations.
iteration 100: trace = 2.487462269535424 (0.00126289% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.48745536423858 (0.000277604% change)
large trace change predicted (0.000931403%)
linmin: converged after 5 iterations.
iteration 102: trace = 2.487432233641114 (0.000929894% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.487405032651327 (0.00109354% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.487396818139055 (0.000330245% change)
large trace change predicted (0.00148261%)
linmin: converged after 3 iterations.
iteration 105: trace = 2.487359848334163 (0.0014863% change)
linmin: converged after 3 iterations.
iteration 106: trace = 2.487331078568984 (0.00115665% change)
linmin: converged after 5 iterations.
iteration 107: trace = 2.487319494981296 (0.000465705% change)
large trace change predicted (0.00232136%)
linmin: converged after 6 iterations.
iteration 108: trace = 2.48726164881472 (0.00232567% change)
linmin: converged after 3 iterations.
iteration 109: trace = 2.487237092826722 (0.000987275% change)
linmin: converged after 3 iterations.
iteration 110: trace = 2.487206680585687 (0.00122274% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.487173038603066 (0.00135261% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.487160558799443 (0.000501768% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.487141960392464 (0.000747779% change)
linmin: converged after 5 iterations.
iteration 114: trace = 2.487111565453936 (0.00122209% change)
linmin: converged after 6 iterations.
iteration 115: trace = 2.487101729536141 (0.000395476% change)
large trace change predicted (0.000795578%)
linmin: converged after 3 iterations.
iteration 116: trace = 2.487081948065852 (0.000795365% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.4870636905194 (0.000734098% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.487055266003158 (0.000338734% change)
large trace change predicted (0.00104506%)
linmin: converged after 3 iterations.
iteration 119: trace = 2.487029266684226 (0.00104539% change)
linmin: converged after 4 iterations.
iteration 120: trace = 2.487007971865747 (0.000856239% change)
linmin: converged after 4 iterations.
iteration 121: trace = 2.487000144833851 (0.000314717% change)
large trace change predicted (0.00098169%)
linmin: converged after 5 iterations.
iteration 122: trace = 2.486975730154866 (0.000981697% change)
linmin: converged after 3 iterations.
iteration 123: trace = 2.486952827646625 (0.000920902% change)
linmin: converged after 3 iterations.
iteration 124: trace = 2.486940045383895 (0.000513974% change)
large trace change predicted (0.00230676%)
linmin: converged after 4 iterations.
iteration 125: trace = 2.486882730702087 (0.00230465% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.486843220613449 (0.00158875% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.486783792724833 (0.00238972% change)
linmin: converged after 4 iterations.
iteration 128: trace = 2.486698791892305 (0.00341816% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.486661286309805 (0.00150826% change)
linmin: converged after 7 iterations.
iteration 130: trace = 2.486623172913379 (0.00153273% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.486591355088738 (0.00127957% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.486581495915449 (0.000396494% change)
large trace change predicted (0.000963697%)
linmin: converged after 4 iterations.
iteration 133: trace = 2.486557524018012 (0.000964055% change)
linmin: converged after 3 iterations.
iteration 134: trace = 2.486535868448634 (0.000870909% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.486525734145124 (0.000407568% change)
large trace change predicted (0.00132869%)
linmin: converged after 3 iterations.
iteration 136: trace = 2.486492672114544 (0.00132966% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.4864684568555 (0.000973877% change)
linmin: converged after 3 iterations.
iteration 138: trace = 2.486461344064414 (0.00028606% change)
large trace change predicted (0.000628476%)
linmin: converged after 3 iterations.
iteration 139: trace = 2.486445718478366 (0.000628429% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 140: trace = 2.486440316002184 (0.000217277% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.486436897949191 (0.000137468% change)
large trace change predicted (0.000494266%)
linmin: converged after 6 iterations.
iteration 142: trace = 2.486424619473493 (0.000493819% change)
linmin: converged after 5 iterations.
iteration 143: trace = 2.486421621317892 (0.000120581% change)
large trace change predicted (0.000520131%)
linmin: converged after 15 iterations.
iteration 144: trace = 2.486408705250284 (0.000519465% change)
linmin: converged after 6 iterations.
iteration 145: trace = 2.486391995234417 (0.000672057% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.486387492495172 (0.000181095% change)
large trace change predicted (0.000450639%)
linmin: converged after 3 iterations.
iteration 147: trace = 2.486376285763708 (0.000450724% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.486363602493589 (0.000510112% change)
linmin: converged after 3 iterations.
iteration 149: trace = 2.486359943403615 (0.000147166% change)
large trace change predicted (0.000895146%)
linmin: converged after 5 iterations.
iteration 150: trace = 2.486337672880415 (0.000895712% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.486322372652038 (0.000615374% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.486310286550961 (0.000486105% change)
linmin: converged after 4 iterations.
iteration 153: trace = 2.486288351519972 (0.000882236% change)
linmin: converged after 3 iterations.
iteration 154: trace = 2.486270461204038 (0.000719562% change)
linmin: converged after 3 iterations.
iteration 155: trace = 2.486265078233208 (0.000216508% change)
large trace change predicted (0.000473784%)
linmin: converged after 3 iterations.
iteration 156: trace = 2.486253288137071 (0.00047421% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.486244471224024 (0.000354627% change)
linmin: converged after 3 iterations.
iteration 158: trace = 2.486241791578302 (0.000107779% change)
large trace change predicted (0.000397653%)
linmin: converged after 3 iterations.
iteration 159: trace = 2.486231901543722 (0.000397791% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.486229388624313 (0.000101073% change)
large trace change predicted (0.000218116%)
linmin: converged after 3 iterations.
iteration 161: trace = 2.486223965460543 (0.000218128% change)
linmin: converged after 3 iterations.
iteration 162: trace = 2.486219141454832 (0.00019403% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.486216681749386 (9.89336e-05% change)
large trace change predicted (0.000284402%)
linmin: converged after 6 iterations.
iteration 164: trace = 2.486209618362964 (0.000284102% change)
linmin: converged after 23 iterations.
iteration 165: trace = 2.486198883418821 (0.00043178% change)
linmin: converged after 19 iterations.
iteration 166: trace = 2.486195868179986 (0.000121279% change)
large trace change predicted (0.000255398%)
linmin: converged after 4 iterations.
iteration 167: trace = 2.486189521272439 (0.000255286% change)
linmin: converged after 4 iterations.
iteration 168: trace = 2.486181623261373 (0.000317676% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.486178527728146 (0.00012451% change)
linmin: converged after 4 iterations.
iteration 170: trace = 2.486172932683418 (0.000225046% change)
linmin: converged after 4 iterations.
iteration 171: trace = 2.486164266855635 (0.000348562% change)
linmin: converged after 4 iterations.
iteration 172: trace = 2.486160649663025 (0.000145493% change)
large trace change predicted (0.000303333%)
linmin: converged after 3 iterations.
iteration 173: trace = 2.486153110623879 (0.000303241% change)
linmin: converged after 4 iterations.
iteration 174: trace = 2.486145958516302 (0.000287678% change)
linmin: converged after 7 iterations.
iteration 175: trace = 2.486143253537672 (0.000108802% change)
large trace change predicted (0.000275365%)
linmin: converged after 3 iterations.
iteration 176: trace = 2.486136409821238 (0.000275275% change)
linmin: converged after 4 iterations.
iteration 177: trace = 2.48613149952664 (0.000197507% change)
linmin: converged after 5 iterations.
iteration 178: trace = 2.486129092153331 (9.68321e-05% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.48612481206577 (0.000172159% change)
linmin: converged after 4 iterations.
iteration 180: trace = 2.486122211310087 (0.000104611% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.486119066555182 (0.000126492% change)
large trace change predicted (0.000341478%)
linmin: converged after 4 iterations.
iteration 182: trace = 2.486110582934301 (0.00034124% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.486105934249012 (0.000186986% change)
linmin: converged after 4 iterations.
iteration 184: trace = 2.486103648652534 (9.19348e-05% change)
linmin: converged after 3 iterations.
iteration 185: trace = 2.486099630498395 (0.000161625% change)
linmin: converged after 3 iterations.
iteration 186: trace = 2.486095589937971 (0.000162526% change)
linmin: converged after 3 iterations.
iteration 187: trace = 2.486093695745089 (7.61915e-05% change)
large trace change predicted (0.000189711%)
linmin: converged after 5 iterations.
iteration 188: trace = 2.486088979197969 (0.000189717% change)
linmin: converged after 3 iterations.
iteration 189: trace = 2.486086845441113 (8.58279e-05% change)
large trace change predicted (0.000210963%)
linmin: converged after 3 iterations.
iteration 190: trace = 2.486081598975246 (0.000211033% change)
linmin: converged after 3 iterations.
iteration 191: trace = 2.486075445989276 (0.000247498% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.486072784963713 (0.000107037% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.486067978207759 (0.000193348% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.486062669328761 (0.000213545% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.486061490394072 (4.74218e-05% change)
large trace change predicted (0.000140042%)
linmin: converged after 4 iterations.
iteration 196: trace = 2.486058007016652 (0.000140116% change)
linmin: converged after 3 iterations.
iteration 197: trace = 2.486054811393256 (0.000128542% change)
linmin: converged after 5 iterations.
iteration 198: trace = 2.486053727921057 (4.3582e-05% change)
large trace change predicted (9.18039e-05%)
linmin: converged after 3 iterations.
iteration 199: trace = 2.486051444543701 (9.18475e-05% change)
linmin: converged after 4 iterations.
iteration 200: trace = 2.48604871018823 (0.000109988% change)
linmin: converged after 4 iterations.
iteration 201: trace = 2.486047081327871 (6.55201e-05% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.486045468864992 (6.48605e-05% change)
large trace change predicted (0.000223438%)
linmin: converged after 4 iterations.
iteration 203: trace = 2.486039910217959 (0.000223594% change)
linmin: converged after 2 iterations.
iteration 204: trace = 2.486038922013825 (3.97501e-05% change)
large trace change predicted (0.000199919%)
linmin: converged after 3 iterations.
iteration 205: trace = 2.486033950211503 (0.000199989% change)
linmin: converged after 3 iterations.
iteration 206: trace = 2.486031306054993 (0.00010636% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.486030231168287 (4.32371e-05% change)
large trace change predicted (8.93124e-05%)
linmin: converged after 4 iterations.
iteration 208: trace = 2.486028011030611 (8.93046e-05% change)
large trace change predicted (0.000184494%)
linmin: converged after 6 iterations.
iteration 209: trace = 2.486023428236718 (0.000184342% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.48602202168585 (5.65784e-05% change)
linmin: converged after 12 iterations.
iteration 211: trace = 2.486020018723904 (8.0569e-05% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.486018320754877 (6.83007e-05% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.486017457263136 (3.47339e-05% change)
large trace change predicted (7.40508e-05%)
linmin: converged after 4 iterations.
iteration 214: trace = 2.486015616836127 (7.40312e-05% change)
linmin: converged after 10 iterations.
iteration 215: trace = 2.486012916941027 (0.000108603% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.486012291214537 (2.51699e-05% change)
large trace change predicted (8.39124e-05%)
linmin: converged after 4 iterations.
iteration 217: trace = 2.486010206453553 (8.38597e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.486008460770565 (7.02203e-05% change)
linmin: converged after 4 iterations.
iteration 219: trace = 2.486007789783964 (2.69905e-05% change)
large trace change predicted (8.16819e-05%)
linmin: converged after 5 iterations.
iteration 220: trace = 2.486005760354276 (8.16341e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.486005045497719 (2.87552e-05% change)
large trace change predicted (6.61263e-05%)
linmin: converged after 9 iterations.
iteration 222: trace = 2.486003402161579 (6.61035e-05% change)
linmin: converged after 5 iterations.
iteration 223: trace = 2.486001996233311 (5.65538e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 2.486000042584344 (7.8586e-05% change)
linmin: converged after 5 iterations.
iteration 225: trace = 2.485999119309783 (3.7139e-05% change)
large trace change predicted (0.000140858%)
linmin: converged after 10 iterations.
iteration 226: trace = 2.485995618704608 (0.000140813% change)
linmin: converged after 3 iterations.
iteration 227: trace = 2.485994100233929 (6.1081e-05% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.485991521445129 (0.000103733% change)
linmin: converged after 3 iterations.
iteration 229: trace = 2.485988403934094 (0.000125403% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.485987503584906 (3.6217e-05% change)
large trace change predicted (0.000111695%)
linmin: converged after 5 iterations.
iteration 231: trace = 2.485984727381403 (0.000111674% change)
linmin: converged after 5 iterations.
iteration 232: trace = 2.485982326403656 (9.65806e-05% change)
linmin: converged after 5 iterations.
iteration 233: trace = 2.485981651611549 (2.71439e-05% change)
large trace change predicted (6.92219e-05%)
linmin: converged after 3 iterations.
iteration 234: trace = 2.485979930570006 (6.92299e-05% change)
linmin: converged after 5 iterations.
iteration 235: trace = 2.485977905199617 (8.14717e-05% change)
linmin: converged after 3 iterations.
iteration 236: trace = 2.48597730380663 (2.41914e-05% change)
large trace change predicted (8.42799e-05%)
linmin: converged after 4 iterations.
iteration 237: trace = 2.485975208536899 (8.42836e-05% change)
linmin: converged after 4 iterations.
iteration 238: trace = 2.485972481099969 (0.000109713% change)
linmin: converged after 5 iterations.
iteration 239: trace = 2.485971839214122 (2.58203e-05% change)
large trace change predicted (5.6214e-05%)
linmin: converged after 3 iterations.
iteration 240: trace = 2.485970441700708 (5.6216e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.485968844084179 (6.42653e-05% change)
linmin: converged after 3 iterations.
iteration 242: trace = 2.485968424802206 (1.68659e-05% change)
large trace change predicted (6.98542e-05%)
linmin: converged after 4 iterations.
iteration 243: trace = 2.485966688376817 (6.98491e-05% change)
linmin: converged after 4 iterations.
iteration 244: trace = 2.485965446971699 (4.99365e-05% change)
linmin: converged after 3 iterations.
iteration 245: trace = 2.485964604852616 (3.38749e-05% change)
large trace change predicted (0.000103126%)
linmin: converged after 3 iterations.
iteration 246: trace = 2.485962041276639 (0.000103122% change)
linmin: converged after 6 iterations.
iteration 247: trace = 2.485960303402692 (6.99075e-05% change)
linmin: converged after 5 iterations.
iteration 248: trace = 2.485957665169964 (0.000106125% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.485954723603623 (0.000118327% change)
linmin: converged after 3 iterations.
iteration 250: trace = 2.485954009590688 (2.87219e-05% change)
linmin: converged after 5 iterations.
iteration 251: trace = 2.485952659138304 (5.43233e-05% change)
linmin: converged after 4 iterations.
iteration 252: trace = 2.485950347235431 (9.29987e-05% change)
linmin: converged after 4 iterations.
iteration 253: trace = 2.485949172321636 (4.72622e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.485947577225308 (6.41645e-05% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.485945662020343 (7.70413e-05% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.485944562755226 (4.42192e-05% change)
linmin: converged after 3 iterations.
iteration 257: trace = 2.485943623257654 (3.77924e-05% change)
linmin: converged after 4 iterations.
iteration 258: trace = 2.485942113115575 (6.07473e-05% change)
linmin: converged after 3 iterations.
iteration 259: trace = 2.485941692883185 (1.69044e-05% change)
large trace change predicted (5.55981e-05%)
linmin: converged after 3 iterations.
iteration 260: trace = 2.485940310662413 (5.56015e-05% change)
linmin: converged after 4 iterations.
iteration 261: trace = 2.485938556977435 (7.05442e-05% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.485938117284358 (1.76872e-05% change)
large trace change predicted (5.47196e-05%)
linmin: converged after 4 iterations.
iteration 263: trace = 2.485936757504735 (5.46989e-05% change)
linmin: converged after 4 iterations.
iteration 264: trace = 2.485934872111849 (7.58424e-05% change)
linmin: converged after 2 iterations.
iteration 265: trace = 2.485934342667958 (2.12976e-05% change)
large trace change predicted (0.000115978%)
linmin: converged after 20 iterations.
iteration 266: trace = 2.485931462012558 (0.000115878% change)
linmin: converged after 4 iterations.
iteration 267: trace = 2.485929664190849 (7.23199e-05% change)
linmin: converged after 3 iterations.
iteration 268: trace = 2.48592863729641 (4.13083e-05% change)
large trace change predicted (9.58579e-05%)
linmin: converged after 7 iterations.
iteration 269: trace = 2.485926255828979 (9.57979e-05% change)
linmin: converged after 3 iterations.
iteration 270: trace = 2.485924124492907 (8.57361e-05% change)
linmin: converged after 5 iterations.
iteration 271: trace = 2.485923745827829 (1.52324e-05% change)
large trace change predicted (7.43766e-05%)
linmin: converged after 3 iterations.
iteration 272: trace = 2.485921896978573 (7.43728e-05% change)
linmin: converged after 5 iterations.
iteration 273: trace = 2.485921078711772 (3.2916e-05% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.48592048381861 (2.39305e-05% change)
large trace change predicted (7.98036e-05%)
linmin: converged after 4 iterations.
iteration 275: trace = 2.485918499997581 (7.98023e-05% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.485917726900054 (3.10991e-05% change)
linmin: converged after 4 iterations.
iteration 277: trace = 2.485916798874416 (3.73313e-05% change)
linmin: converged after 3 iterations.
iteration 278: trace = 2.485915841890903 (3.84962e-05% change)
linmin: converged after 4 iterations.
iteration 279: trace = 2.485915428001314 (1.66494e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.485915156796766 (1.09096e-05% change)
large trace change predicted (2.45237e-05%)
linmin: converged after 4 iterations.
iteration 281: trace = 2.485914547198413 (2.45221e-05% change)
linmin: converged after 2 iterations.
iteration 282: trace = 2.48591397024841 (2.32088e-05% change)
linmin: converged after 3 iterations.
iteration 283: trace = 2.485913416994713 (2.22555e-05% change)
linmin: converged after 4 iterations.
iteration 284: trace = 2.485912346741366 (4.30527e-05% change)
linmin: converged after 4 iterations.
iteration 285: trace = 2.485911911775135 (1.74972e-05% change)
large trace change predicted (3.78617e-05%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.485910970666737 (3.78577e-05% change)
linmin: converged after 3 iterations.
iteration 287: trace = 2.485909928737816 (4.19134e-05% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.485909652038214 (1.11307e-05% change)
large trace change predicted (3.44923e-05%)
linmin: converged after 4 iterations.
iteration 289: trace = 2.485908794542906 (3.44942e-05% change)
linmin: converged after 3 iterations.
iteration 290: trace = 2.485907580723941 (4.8828e-05% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.485907230171407 (1.41016e-05% change)
large trace change predicted (7.80145e-05%)
linmin: converged after 5 iterations.
iteration 292: trace = 2.485905288868155 (7.80924e-05% change)
linmin: converged after 3 iterations.
iteration 293: trace = 2.485904457413371 (3.34468e-05% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.485903618487427 (3.37473e-05% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.485902688182957 (3.74232e-05% change)
linmin: converged after 3 iterations.
iteration 296: trace = 2.485901918355574 (3.09677e-05% change)
linmin: converged after 3 iterations.
iteration 297: trace = 2.485901734629439 (7.39072e-06% change)
large trace change predicted (3.39546e-05%)
linmin: converged after 3 iterations.
iteration 298: trace = 2.485900890495897 (3.39568e-05% change)
linmin: converged after 3 iterations.
iteration 299: trace = 2.48590041018798 (1.93213e-05% change)
linmin: converged after 4 iterations.
iteration 300: trace = 2.485900180711757 (9.23111e-06% change)
large trace change predicted (2.9496e-05%)
linmin: converged after 3 iterations.
iteration 301: trace = 2.485899447482988 (2.94955e-05% change)
linmin: converged after 3 iterations.
iteration 302: trace = 2.485899135824026 (1.25371e-05% change)
large trace change predicted (2.62525e-05%)
linmin: converged after 3 iterations.
iteration 303: trace = 2.485898483180081 (2.62538e-05% change)
linmin: converged after 3 iterations.
iteration 304: trace = 2.485897748158209 (2.95677e-05% change)
linmin: converged after 13 iterations.
iteration 305: trace = 2.485897472633001 (1.10835e-05% change)
large trace change predicted (2.76783e-05%)
linmin: converged after 4 iterations.
iteration 306: trace = 2.485896784643212 (2.76757e-05% change)
linmin: converged after 3 iterations.
iteration 307: trace = 2.485896208114291 (2.3192e-05% change)
linmin: converged after 16 iterations.
iteration 308: trace = 2.485895611119694 (2.40153e-05% change)
linmin: converged after 2 iterations.
iteration 309: trace = 2.485895272828215 (1.36084e-05% change)
large trace change predicted (2.81279e-05%)
linmin: converged after 3 iterations.
iteration 310: trace = 2.485894573694849 (2.8124e-05% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.485894358226965 (8.66762e-06% change)
large trace change predicted (2.39788e-05%)
linmin: converged after 5 iterations.
iteration 312: trace = 2.485893762301133 (2.39723e-05% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.485893047776924 (2.87432e-05% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.485892908701802 (5.59457e-06% change)
large trace change predicted (2.65519e-05%)
linmin: converged after 3 iterations.
iteration 315: trace = 2.485892248902879 (2.65417e-05% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.485891877518642 (1.49397e-05% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.485891750872335 (5.0946e-06% change)
large trace change predicted (1.6811e-05%)
linmin: converged after 3 iterations.
iteration 318: trace = 2.485891333048813 (1.68078e-05% change)
linmin: converged after 5 iterations.
iteration 319: trace = 2.485890959707071 (1.50184e-05% change)
linmin: converged after 19 iterations.
iteration 320: trace = 2.485890817568823 (5.7178e-06% change)
large trace change predicted (2.65065e-05%)
linmin: converged after 16 iterations.
iteration 321: trace = 2.485890158826757 (2.64992e-05% change)
linmin: converged after 4 iterations.
iteration 322: trace = 2.485889705876483 (1.82208e-05% change)
linmin: converged after 3 iterations.
iteration 323: trace = 2.485889538126151 (6.7481e-06% change)
large trace change predicted (1.95807e-05%)
linmin: converged after 4 iterations.
iteration 324: trace = 2.485889051509746 (1.95751e-05% change)
linmin: converged after 2 iterations.
iteration 325: trace = 2.485888757339809 (1.18336e-05% change)
linmin: converged after 4 iterations.
iteration 326: trace = 2.485888545542125 (8.52e-06% change)
large trace change predicted (1.97252e-05%)
linmin: converged after 7 iterations.
iteration 327: trace = 2.485888055232837 (1.97237e-05% change)
linmin: converged after 2 iterations.
iteration 328: trace = 2.485887788638825 (1.07243e-05% change)
linmin: converged after 3 iterations.
iteration 329: trace = 2.485887463090222 (1.30959e-05% change)
large trace change predicted (2.65074e-05%)
linmin: converged after 3 iterations.
iteration 330: trace = 2.485886804123782 (2.65083e-05% change)
linmin: converged after 5 iterations.
iteration 331: trace = 2.485886494136767 (1.24699e-05% change)
linmin: converged after 3 iterations.
iteration 332: trace = 2.48588596819191 (2.11572e-05% change)
linmin: converged after 3 iterations.
iteration 333: trace = 2.485885515568653 (1.82077e-05% change)
linmin: converged after 2 iterations.
iteration 334: trace = 2.485885362111051 (6.17316e-06% change)
linmin: converged after 2 iterations.
iteration 335: trace = 2.485885210707106 (6.09054e-06% change)
linmin: converged after 3 iterations.
iteration 336: trace = 2.485884945045744 (1.06868e-05% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.485884877394166 (2.72143e-06% change)
large trace change predicted (8.92198e-06%)
linmin: converged after 4 iterations.
iteration 338: trace = 2.485884655577982 (8.92303e-06% change)
linmin: converged after 3 iterations.
iteration 339: trace = 2.485884475797544 (7.23205e-06% change)
linmin: converged after 4 iterations.
iteration 340: trace = 2.485884400738471 (3.01941e-06% change)
large trace change predicted (1.03345e-05%)
linmin: converged after 3 iterations.
iteration 341: trace = 2.485884143787008 (1.03364e-05% change)
linmin: converged after 3 iterations.
iteration 342: trace = 2.485883765246077 (1.52276e-05% change)
linmin: converged after 4 iterations.
iteration 343: trace = 2.485883671025189 (3.79024e-06% change)
large trace change predicted (1.2505e-05%)
linmin: converged after 3 iterations.
iteration 344: trace = 2.485883360095597 (1.25078e-05% change)
linmin: converged after 4 iterations.
iteration 345: trace = 2.485883118815805 (9.706e-06% change)
linmin: converged after 6 iterations.
iteration 346: trace = 2.485883019168665 (4.00852e-06% change)
large trace change predicted (1.35496e-05%)
linmin: converged after 5 iterations.
iteration 347: trace = 2.485882682316431 (1.35506e-05% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.485882555980481 (5.08214e-06% change)
linmin: converged after 3 iterations.
iteration 349: trace = 2.485882306930253 (1.00186e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 350: trace = 2.48588209723502 (8.43545e-06% change)
linmin: converged after 3 iterations.
iteration 351: trace = 2.48588200409695 (3.74668e-06% change)
large trace change predicted (1.0543e-05%)
linmin: converged after 3 iterations.
iteration 352: trace = 2.485881742042807 (1.05417e-05% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.485881636544489 (4.2439e-06% change)
linmin: converged after 4 iterations.
iteration 354: trace = 2.485881483251974 (6.16653e-06% change)
linmin: converged after 5 iterations.
iteration 355: trace = 2.485881204668219 (1.12066e-05% change)
linmin: converged after 6 iterations.
iteration 356: trace = 2.485881132200586 (2.91517e-06% change)
large trace change predicted (7.88748e-06%)
linmin: converged after 4 iterations.
iteration 357: trace = 2.485880936172148 (7.88567e-06% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.485880777292191 (6.39129e-06% change)
linmin: converged after 3 iterations.
iteration 359: trace = 2.485880700031593 (3.10798e-06% change)
large trace change predicted (6.38219e-06%)
linmin: converged after 14 iterations.
iteration 360: trace = 2.485880541401155 (6.38126e-06% change)
linmin: converged after 3 iterations.
iteration 361: trace = 2.485880354929694 (7.50122e-06% change)
linmin: converged after 3 iterations.
iteration 362: trace = 2.485880294930855 (2.41359e-06% change)
large trace change predicted (6.20151e-06%)
linmin: converged after 6 iterations.
iteration 363: trace = 2.485880140784376 (6.20088e-06% change)
linmin: converged after 4 iterations.
iteration 364: trace = 2.485879979101922 (6.50403e-06% change)
linmin: converged after 4 iterations.
iteration 365: trace = 2.485879919103026 (2.41359e-06% change)
large trace change predicted (1.33255e-05%)
linmin: converged after 8 iterations.
iteration 366: trace = 2.485879587889342 (1.33238e-05% change)
linmin: converged after 7 iterations.
iteration 367: trace = 2.485879201432082 (1.55461e-05% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.485879067998373 (5.36767e-06% change)
large trace change predicted (1.37008e-05%)
linmin: converged after 3 iterations.
iteration 369: trace = 2.485878727406584 (1.37011e-05% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.485878428101167 (1.20402e-05% change)
linmin: converged after 2 iterations.
iteration 371: trace = 2.485878346726981 (3.27346e-06% change)
large trace change predicted (1.08916e-05%)
linmin: converged after 2 iterations.
iteration 372: trace = 2.485878075971529 (1.08917e-05% change)
linmin: converged after 2 iterations.
iteration 373: trace = 2.485877928417474 (5.93569e-06% change)
linmin: converged after 3 iterations.
iteration 374: trace = 2.48587782103891 (4.31954e-06% change)
large trace change predicted (8.99719e-06%)
linmin: converged after 5 iterations.
iteration 375: trace = 2.485877597367579 (8.99768e-06% change)
linmin: converged after 3 iterations.
iteration 376: trace = 2.485877350423996 (9.93386e-06% change)
linmin: converged after 4 iterations.
iteration 377: trace = 2.485877285297414 (2.61986e-06% change)
large trace change predicted (1.09292e-05%)
linmin: converged after 3 iterations.
iteration 378: trace = 2.485877013583101 (1.09303e-05% change)
linmin: converged after 3 iterations.
iteration 379: trace = 2.485876883662909 (5.22633e-06% change)
linmin: converged after 4 iterations.
iteration 380: trace = 2.485876813353013 (2.82837e-06% change)
linmin: converged after 2 iterations.
iteration 381: trace = 2.48587669382159 (4.80842e-06% change)
linmin: converged after 3 iterations.
iteration 382: trace = 2.485876488279835 (8.26838e-06% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.485876440512067 (1.92157e-06% change)
large trace change predicted (8.09195e-06%)
linmin: converged after 3 iterations.
iteration 384: trace = 2.485876239372412 (8.0913e-06% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.485876027286559 (8.53163e-06% change)
linmin: converged after 4 iterations.
iteration 386: trace = 2.485875946859879 (3.23535e-06% change)
large trace change predicted (1.41237e-05%)
linmin: converged after 4 iterations.
iteration 387: trace = 2.485875595742851 (1.41245e-05% change)
linmin: converged after 4 iterations.
iteration 388: trace = 2.485875514501315 (3.26813e-06% change)
large trace change predicted (1.03704e-05%)
linmin: converged after 7 iterations.
iteration 389: trace = 2.485875256708515 (1.03703e-05% change)
linmin: converged after 6 iterations.
iteration 390: trace = 2.485875066155807 (7.66542e-06% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.485874969091101 (3.90465e-06% change)
linmin: converged after 17 iterations.
iteration 392: trace = 2.485874801742324 (6.73199e-06% change)
linmin: converged after 3 iterations.
iteration 393: trace = 2.485874522054159 (1.12511e-05% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.485874392273183 (5.22074e-06% change)
linmin: converged after 3 iterations.
iteration 395: trace = 2.485874272914492 (4.80148e-06% change)
linmin: converged after 5 iterations.
iteration 396: trace = 2.485874066515826 (8.30286e-06% change)
linmin: converged after 3 iterations.
iteration 397: trace = 2.485873981502775 (3.41985e-06% change)
linmin: converged after 3 iterations.
iteration 398: trace = 2.485873847026941 (5.4096e-06% change)
linmin: converged after 3 iterations.
iteration 399: trace = 2.485873656468925 (7.66564e-06% change)
linmin: converged after 3 iterations.
iteration 400: trace = 2.485873592123216 (2.58845e-06% change)
large trace change predicted (5.24019e-06%)
linmin: converged after 4 iterations.
iteration 401: trace = 2.485873461876362 (5.23948e-06% change)
linmin: converged after 3 iterations.
iteration 402: trace = 2.485873332707443 (5.19612e-06% change)
linmin: converged after 3 iterations.
iteration 403: trace = 2.485873263874981 (2.76894e-06% change)
large trace change predicted (7.17064e-06%)
linmin: converged after 3 iterations.
iteration 404: trace = 2.485873085637827 (7.17e-06% change)
linmin: converged after 3 iterations.
iteration 405: trace = 2.485872821346301 (1.06317e-05% change)
linmin: converged after 5 iterations.
iteration 406: trace = 2.485872729276638 (3.70372e-06% change)
large trace change predicted (1.06372e-05%)
linmin: converged after 4 iterations.
iteration 407: trace = 2.485872464910204 (1.06348e-05% change)
linmin: converged after 3 iterations.
iteration 408: trace = 2.485872311313276 (6.17879e-06% change)
linmin: converged after 14 iterations.
iteration 409: trace = 2.485872223936334 (3.51494e-06% change)
large trace change predicted (7.78093e-06%)
linmin: converged after 5 iterations.
iteration 410: trace = 2.485872030531145 (7.78017e-06% change)
linmin: converged after 3 iterations.
iteration 411: trace = 2.485871884420846 (5.87763e-06% change)
linmin: converged after 3 iterations.
iteration 412: trace = 2.485871815218446 (2.78383e-06% change)
linmin: converged after 4 iterations.
iteration 413: trace = 2.485871683821008 (5.28577e-06% change)
linmin: converged after 4 iterations.
iteration 414: trace = 2.485871494428108 (7.61877e-06% change)
linmin: converged after 5 iterations.
iteration 415: trace = 2.48587145720753 (1.49728e-06% change)
large trace change predicted (6.71818e-06%)
linmin: converged after 3 iterations.
iteration 416: trace = 2.485871290193783 (6.71852e-06% change)
linmin: converged after 2 iterations.
iteration 417: trace = 2.485871231414292 (2.36454e-06% change)
linmin: converged after 3 iterations.
iteration 418: trace = 2.485871190841979 (1.63212e-06% change)
large trace change predicted (7.01105e-06%)
linmin: converged after 4 iterations.
iteration 419: trace = 2.485871016566595 (7.01064e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 420: trace = 2.485870912572561 (4.1834e-06% change)
linmin: converged after 2 iterations.
iteration 421: trace = 2.485870880991395 (1.27043e-06% change)
large trace change predicted (3.37745e-06%)
linmin: converged after 3 iterations.
iteration 422: trace = 2.485870797035556 (3.37732e-06% change)
linmin: converged after 3 iterations.
iteration 423: trace = 2.485870744256358 (2.12317e-06% change)
linmin: converged after 7 iterations.
iteration 424: trace = 2.485870670290663 (2.97544e-06% change)
linmin: converged after 3 iterations.
iteration 425: trace = 2.485870544491732 (5.06056e-06% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.485870481732443 (2.52464e-06% change)
linmin: converged after 4 iterations.
iteration 427: trace = 2.485870411175001 (2.83834e-06% change)
linmin: converged after 26 iterations.
iteration 428: trace = 2.485870290780793 (4.84314e-06% change)
linmin: converged after 3 iterations.
iteration 429: trace = 2.485870255391174 (1.42363e-06% change)
large trace change predicted (4.73544e-06%)
linmin: converged after 21 iterations.
iteration 430: trace = 2.485870137671351 (4.73556e-06% change)
linmin: converged after 15 iterations.
iteration 431: trace = 2.485870039418725 (3.95244e-06% change)
linmin: converged after 3 iterations.
iteration 432: trace = 2.485869986993713 (2.10892e-06% change)
large trace change predicted (5.35082e-06%)
linmin: converged after 3 iterations.
iteration 433: trace = 2.485869853958143 (5.35167e-06% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.485869680056128 (6.99562e-06% change)
linmin: converged after 9 iterations.
iteration 435: trace = 2.485869643684701 (1.46313e-06% change)
large trace change predicted (5.63131e-06%)
linmin: converged after 5 iterations.
iteration 436: trace = 2.485869503665958 (5.63259e-06% change)
linmin: converged after 14 iterations.
iteration 437: trace = 2.485869439645072 (2.57539e-06% change)
linmin: converged after 3 iterations.
iteration 438: trace = 2.485869413994621 (1.03185e-06% change)
large trace change predicted (3.37021e-06%)
linmin: converged after 3 iterations.
iteration 439: trace = 2.485869330210942 (3.3704e-06% change)
linmin: converged after 12 iterations.
iteration 440: trace = 2.48586928059478 (1.99593e-06% change)
linmin: converged after 3 iterations.
iteration 441: trace = 2.485869233179883 (1.90738e-06% change)
linmin: converged after 4 iterations.
iteration 442: trace = 2.485869145610005 (3.52271e-06% change)
linmin: converged after 3 iterations.
iteration 443: trace = 2.485869063473394 (3.30414e-06% change)
linmin: converged after 2 iterations.
iteration 444: trace = 2.485869041127063 (8.98934e-07% change)
large trace change predicted (4.19972e-06%)
linmin: converged after 5 iterations.
iteration 445: trace = 2.485868936738284 (4.19929e-06% change)
linmin: converged after 2 iterations.
iteration 446: trace = 2.48586888401891 (2.12076e-06% change)
linmin: converged after 4 iterations.
iteration 447: trace = 2.485868832915147 (2.05577e-06% change)
linmin: converged after 3 iterations.
iteration 448: trace = 2.485868747720442 (3.42716e-06% change)
linmin: converged after 4 iterations.
iteration 449: trace = 2.485868684554225 (2.54101e-06% change)
linmin: converged after 2 iterations.
iteration 450: trace = 2.485868659687701 (1.00032e-06% change)
large trace change predicted (2.96403e-06%)
linmin: converged after 4 iterations.
iteration 451: trace = 2.485868586011092 (2.96382e-06% change)
linmin: converged after 4 iterations.
iteration 452: trace = 2.485868490425078 (3.84518e-06% change)
linmin: converged after 3 iterations.
iteration 453: trace = 2.48586846793009 (9.04915e-07% change)
large trace change predicted (2.81081e-06%)
linmin: converged after 3 iterations.
iteration 454: trace = 2.485868398063671 (2.81054e-06% change)
linmin: converged after 7 iterations.
iteration 455: trace = 2.485868322227633 (3.05069e-06% change)
linmin: converged after 32 iterations.
iteration 456: trace = 2.48586830730178 (6.00428e-07% change)
large trace change predicted (2.52101e-06%)
linmin: converged after 29 iterations.
iteration 457: trace = 2.485868244635478 (2.5209e-06% change)
linmin: converged after 10 iterations.
iteration 458: trace = 2.485868224743199 (8.00215e-07% change)
linmin: converged after 2 iterations.
iteration 459: trace = 2.485868188256212 (1.46778e-06% change)
linmin: converged after 3 iterations.
iteration 460: trace = 2.48586815534189 (1.32406e-06% change)
linmin: converged after 3 iterations.
iteration 461: trace = 2.485868133450664 (8.80627e-07% change)
large trace change predicted (1.98458e-06%)
linmin: converged after 3 iterations.
iteration 462: trace = 2.485868084120775 (1.98441e-06% change)
linmin: converged after 4 iterations.
iteration 463: trace = 2.485868019497456 (2.59963e-06% change)
linmin: converged after 3 iterations.
iteration 464: trace = 2.485867996293494 (9.33435e-07% change)
linmin: converged after 4 iterations.
iteration 465: trace = 2.485867953826549 (1.70833e-06% change)
linmin: converged after 3 iterations.
iteration 466: trace = 2.485867893073292 (2.44395e-06% change)
linmin: converged after 3 iterations.
iteration 467: trace = 2.485867876025061 (6.85806e-07% change)
large trace change predicted (2.36046e-06%)
linmin: converged after 3 iterations.
iteration 468: trace = 2.485867817348503 (2.36041e-06% change)
linmin: converged after 2 iterations.
iteration 469: trace = 2.485867762714372 (2.19779e-06% change)
linmin: converged after 5 iterations.
iteration 470: trace = 2.485867734917171 (1.11821e-06% change)
large trace change predicted (2.39405e-06%)
linmin: converged after 2 iterations.
iteration 471: trace = 2.485867675403512 (2.39408e-06% change)
linmin: converged after 2 iterations.
iteration 472: trace = 2.485867613174001 (2.50333e-06% change)
linmin: converged after 16 iterations.
iteration 473: trace = 2.485867592989133 (8.11985e-07% change)
large trace change predicted (2.0842e-06%)
linmin: converged after 8 iterations.
iteration 474: trace = 2.485867541177512 (2.08425e-06% change)
linmin: converged after 3 iterations.
iteration 475: trace = 2.485867507563353 (1.35221e-06% change)
linmin: converged after 22 iterations.
iteration 476: trace = 2.485867498849147 (3.5055e-07% change)
large trace change predicted (7.73015e-07%)
linmin: converged after 2 iterations.
iteration 477: trace = 2.485867479632895 (7.7302e-07% change)
linmin: converged after 17 iterations.
iteration 478: trace = 2.485867450606877 (1.16764e-06% change)
linmin: converged after 32 iterations.
iteration 479: trace = 2.485867444141832 (2.60072e-07% change)
large trace change predicted (1.05355e-06%)
linmin: converged after 4 iterations.
iteration 480: trace = 2.485867417950375 (1.05361e-06% change)
linmin: converged after 2 iterations.
iteration 481: trace = 2.485867396817774 (8.5011e-07% change)
linmin: converged after 2 iterations.
iteration 482: trace = 2.485867386773368 (4.0406e-07% change)
large trace change predicted (1.09553e-06%)
linmin: converged after 3 iterations.
iteration 483: trace = 2.485867359538926 (1.09557e-06% change)
linmin: converged after 2 iterations.
iteration 484: trace = 2.48586732478117 (1.39821e-06% change)
linmin: converged after 4 iterations.
iteration 485: trace = 2.485867311055481 (5.52149e-07% change)
large trace change predicted (1.7335e-06%)
linmin: converged after 3 iterations.
iteration 486: trace = 2.485867267961204 (1.73357e-06% change)
linmin: converged after 2 iterations.
iteration 487: trace = 2.485867244239801 (9.54251e-07% change)
linmin: converged after 2 iterations.
iteration 488: trace = 2.485867233828202 (4.18832e-07% change)
large trace change predicted (1.25791e-06%)
linmin: converged after 5 iterations.
iteration 489: trace = 2.48586720255778 (1.25793e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.485867179788646 (9.15943e-07% change)
linmin: converged after 3 iterations.
iteration 491: trace = 2.485867169784331 (4.02448e-07% change)
large trace change predicted (9.8972e-07%)
linmin: converged after 3 iterations.
iteration 492: trace = 2.485867145181219 (9.89719e-07% change)
linmin: converged after 2 iterations.
iteration 493: trace = 2.485867122368226 (9.17708e-07% change)
linmin: converged after 18 iterations.
iteration 494: trace = 2.485867109572829 (5.14726e-07% change)
large trace change predicted (1.27129e-06%)
linmin: converged after 3 iterations.
iteration 495: trace = 2.485867077972008 (1.27122e-06% change)
linmin: converged after 4 iterations.
iteration 496: trace = 2.485867055912573 (8.87394e-07% change)
linmin: converged after 2 iterations.
iteration 497: trace = 2.485867044729456 (4.49868e-07% change)
linmin: converged after 12 iterations.
iteration 498: trace = 2.48586702695478 (7.15029e-07% change)
linmin: converged after 8 iterations.
iteration 499: trace = 2.485867016233747 (4.31279e-07% change)
linmin: converged after 3 iterations.
iteration 500: trace = 2.485867004623938 (4.67033e-07% change)
large trace change predicted (9.55285e-07%)
linmin: converged after 3 iterations.
iteration 501: trace = 2.485866980878031 (9.55236e-07% change)
linmin: converged after 4 iterations.
iteration 502: trace = 2.485866973526107 (2.95749e-07% change)
linmin: converged after 3 iterations.
iteration 503: trace = 2.485866961229981 (4.94641e-07% change)
linmin: converged after 3 iterations.
iteration 504: trace = 2.485866939099254 (8.90262e-07% change)
linmin: converged after 3 iterations.
iteration 505: trace = 2.485866918690563 (8.20989e-07% change)
linmin: converged after 4 iterations.
iteration 506: trace = 2.485866895872162 (9.17925e-07% change)
large trace change predicted (1.9145e-06%)
linmin: converged after 4 iterations.
iteration 507: trace = 2.485866848281662 (1.91444e-06% change)
linmin: converged after 3 iterations.
iteration 508: trace = 2.485866830020769 (7.34589e-07% change)
linmin: converged after 9 iterations.
iteration 509: trace = 2.485866798780411 (1.25672e-06% change)
linmin: converged after 4 iterations.
iteration 510: trace = 2.485866759679631 (1.57292e-06% change)
linmin: converged after 3 iterations.
iteration 511: trace = 2.485866751384479 (3.33693e-07% change)
large trace change predicted (1.41447e-06%)
linmin: converged after 2 iterations.
iteration 512: trace = 2.485866716222462 (1.41448e-06% change)
linmin: converged after 2 iterations.
iteration 513: trace = 2.485866691268892 (1.00382e-06% change)
linmin: converged after 3 iterations.
iteration 514: trace = 2.485866681071788 (4.10203e-07% change)
large trace change predicted (1.17446e-06%)
linmin: converged after 2 iterations.
iteration 515: trace = 2.485866651874806 (1.17452e-06% change)
linmin: converged after 30 iterations.
iteration 516: trace = 2.485866629997839 (8.80054e-07% change)
linmin: converged after 24 iterations.
iteration 517: trace = 2.485866618664308 (4.55919e-07% change)
large trace change predicted (1.14796e-06%)
linmin: converged after 3 iterations.
iteration 518: trace = 2.485866590126886 (1.14799e-06% change)
linmin: converged after 3 iterations.
iteration 519: trace = 2.485866569538686 (8.2821e-07% change)
linmin: converged after 8 iterations.
iteration 520: trace = 2.48586655371236 (6.36652e-07% change)
linmin: converged after 4 iterations.
iteration 521: trace = 2.485866548712139 (2.01146e-07% change)
large trace change predicted (9.13106e-07%)
linmin: converged after 4 iterations.
iteration 522: trace = 2.485866526013558 (9.13105e-07% change)
linmin: converged after 2 iterations.
iteration 523: trace = 2.485866506401708 (7.88934e-07% change)
linmin: converged after 3 iterations.
iteration 524: trace = 2.48586649009149 (6.56118e-07% change)
large trace change predicted (1.48377e-06%)
linmin: converged after 3 iterations.
iteration 525: trace = 2.485866453205912 (1.48381e-06% change)
linmin: converged after 4 iterations.
iteration 526: trace = 2.485866436147058 (6.86234e-07% change)
linmin: converged after 2 iterations.
iteration 527: trace = 2.485866420919921 (6.12548e-07% change)
linmin: converged after 2 iterations.
iteration 528: trace = 2.485866390685679 (1.21625e-06% change)
linmin: converged after 3 iterations.
iteration 529: trace = 2.485866382828613 (3.1607e-07% change)
large trace change predicted (9.44287e-07%)
linmin: converged after 3 iterations.
iteration 530: trace = 2.48586635935478 (9.44292e-07% change)
linmin: converged after 20 iterations.
iteration 531: trace = 2.485866335741836 (9.49888e-07% change)
linmin: converged after 22 iterations.
iteration 532: trace = 2.485866323248332 (5.02581e-07% change)
large trace change predicted (1.07893e-06%)
linmin: converged after 16 iterations.
iteration 533: trace = 2.485866296426903 (1.07896e-06% change)
linmin: converged after 5 iterations.
iteration 534: trace = 2.48586626738511 (1.16828e-06% change)
linmin: converged after 6 iterations.
iteration 535: trace = 2.485866258972777 (3.38407e-07% change)
large trace change predicted (9.12254e-07%)
linmin: converged after 2 iterations.
iteration 536: trace = 2.485866236295242 (9.12259e-07% change)
linmin: converged after 5 iterations.
iteration 537: trace = 2.485866212413076 (9.60718e-07% change)
linmin: converged after 3 iterations.
iteration 538: trace = 2.485866205654591 (2.71876e-07% change)
large trace change predicted (7.64061e-07%)
linmin: converged after 20 iterations.
iteration 539: trace = 2.485866186660834 (7.6407e-07% change)
linmin: converged after 4 iterations.
iteration 540: trace = 2.485866170809313 (6.37666e-07% change)
linmin: converged after 5 iterations.
iteration 541: trace = 2.485866165744737 (2.03735e-07% change)
large trace change predicted (7.56376e-07%)
linmin: converged after 5 iterations.
iteration 542: trace = 2.485866146942725 (7.56357e-07% change)
linmin: converged after 11 iterations.
iteration 543: trace = 2.485866130747774 (6.51481e-07% change)
linmin: converged after 4 iterations.
iteration 544: trace = 2.485866122032381 (3.50598e-07% change)
large trace change predicted (1.51451e-06%)
linmin: converged after 11 iterations.
iteration 545: trace = 2.485866084388703 (1.51431e-06% change)
linmin: converged after 29 iterations.
iteration 546: trace = 2.485866075186559 (3.70179e-07% change)
large trace change predicted (8.77737e-07%)
linmin: converged after 4 iterations.
iteration 547: trace = 2.485866053368421 (8.77688e-07% change)
linmin: converged after 6 iterations.
iteration 548: trace = 2.485866031826706 (8.66568e-07% change)
linmin: converged after 4 iterations.
iteration 549: trace = 2.485866010483658 (8.58576e-07% change)
linmin: converged after 3 iterations.
iteration 550: trace = 2.485866005734243 (1.91057e-07% change)
large trace change predicted (9.3547e-07%)
linmin: converged after 21 iterations.
iteration 551: trace = 2.485865982479988 (9.35459e-07% change)
linmin: converged after 3 iterations.
iteration 552: trace = 2.485865964358965 (7.28962e-07% change)
linmin: converged after 11 iterations.
iteration 553: trace = 2.485865958564203 (2.33108e-07% change)
large trace change predicted (5.43682e-07%)
linmin: converged after 3 iterations.
iteration 554: trace = 2.485865945048811 (5.43689e-07% change)
linmin: converged after 6 iterations.
iteration 555: trace = 2.485865926177687 (7.59137e-07% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.485865921908739 (1.71729e-07% change)
large trace change predicted (3.74282e-07%)
linmin: converged after 4 iterations.
iteration 557: trace = 2.485865912604631 (3.7428e-07% change)
linmin: converged after 7 iterations.
iteration 558: trace = 2.485865898763034 (5.56812e-07% change)
linmin: converged after 2 iterations.
iteration 559: trace = 2.485865890594146 (3.28613e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 560: trace = 2.485865883198732 (2.97498e-07% change)
linmin: converged after 18 iterations.
iteration 561: trace = 2.485865871369293 (4.75868e-07% change)
linmin: converged after 4 iterations.
iteration 562: trace = 2.485865863708871 (3.08159e-07% change)
linmin: converged after 2 iterations.
iteration 563: trace = 2.485865860684591 (1.21659e-07% change)
large trace change predicted (6.55238e-07%)
linmin: converged after 14 iterations.
iteration 564: trace = 2.485865844397677 (6.55181e-07% change)
linmin: converged after 26 iterations.
iteration 565: trace = 2.485865835896939 (3.41963e-07% change)
linmin: converged after 5 iterations.
iteration 566: trace = 2.485865828655967 (2.91286e-07% change)
linmin: converged after 3 iterations.
iteration 567: trace = 2.485865815810901 (5.16724e-07% change)
linmin: converged after 3 iterations.
iteration 568: trace = 2.485865807771368 (3.2341e-07% change)
linmin: converged after 5 iterations.
iteration 569: trace = 2.485865795146291 (5.07874e-07% change)
linmin: converged after 2 iterations.
iteration 570: trace = 2.485865781367603 (5.54281e-07% change)
linmin: converged after 20 iterations.
iteration 571: trace = 2.485865772803337 (3.44518e-07% change)
linmin: converged after 3 iterations.
iteration 572: trace = 2.485865764162654 (3.47592e-07% change)
linmin: converged after 4 iterations.
iteration 573: trace = 2.485865747759466 (6.59858e-07% change)
linmin: converged after 4 iterations.
iteration 574: trace = 2.485865742153827 (2.255e-07% change)
large trace change predicted (6.79819e-07%)
linmin: converged after 3 iterations.
iteration 575: trace = 2.485865725253269 (6.79866e-07% change)
linmin: converged after 3 iterations.
iteration 576: trace = 2.485865711751071 (5.43159e-07% change)
linmin: converged after 3 iterations.
iteration 577: trace = 2.485865708891211 (1.15045e-07% change)
large trace change predicted (3.69306e-07%)
linmin: converged after 3 iterations.
iteration 578: trace = 2.485865699710651 (3.6931e-07% change)
linmin: converged after 11 iterations.
iteration 579: trace = 2.485865691388251 (3.34789e-07% change)
linmin: converged after 7 iterations.
iteration 580: trace = 2.485865683910438 (3.00813e-07% change)
linmin: converged after 12 iterations.
iteration 581: trace = 2.48586567938243 (1.8215e-07% change)
large trace change predicted (4.60106e-07%)
linmin: converged after 3 iterations.
iteration 582: trace = 2.485865667945014 (4.60098e-07% change)
linmin: converged after 3 iterations.
iteration 583: trace = 2.485865662952972 (2.00817e-07% change)
linmin: converged after 4 iterations.
iteration 584: trace = 2.485865656701815 (2.51468e-07% change)
large trace change predicted (5.37333e-07%)
linmin: converged after 4 iterations.
iteration 585: trace = 2.485865643345008 (5.3731e-07% change)
linmin: converged after 4 iterations.
iteration 586: trace = 2.485865640616766 (1.0975e-07% change)
large trace change predicted (4.63027e-07%)
linmin: converged after 3 iterations.
iteration 587: trace = 2.48586562910696 (4.6301e-07% change)
linmin: converged after 7 iterations.
iteration 588: trace = 2.485865620579228 (3.43049e-07% change)
linmin: converged after 4 iterations.
iteration 589: trace = 2.485865610866434 (3.90721e-07% change)
linmin: converged after 11 iterations.
iteration 590: trace = 2.485865608049879 (1.13303e-07% change)
large trace change predicted (4.24282e-07%)
linmin: converged after 20 iterations.
iteration 591: trace = 2.485865597503016 (4.24273e-07% change)
linmin: converged after 14 iterations.
iteration 592: trace = 2.485865593504626 (1.60845e-07% change)
linmin: converged after 14 iterations.
iteration 593: trace = 2.485865587123043 (2.56715e-07% change)
linmin: converged after 5 iterations.
iteration 594: trace = 2.485865576458851 (4.28993e-07% change)
linmin: converged after 4 iterations.
iteration 595: trace = 2.485865572939455 (1.41576e-07% change)
linmin: converged after 4 iterations.
iteration 596: trace = 2.48586556675149 (2.48926e-07% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.485865560634619 (2.46066e-07% change)
linmin: converged after 19 iterations.
iteration 598: trace = 2.485865559082415 (6.24412e-08% change)
large trace change predicted (2.19717e-07%)
linmin: converged after 3 iterations.
iteration 599: trace = 2.485865553620635 (2.19713e-07% change)
linmin: converged after 3 iterations.
iteration 600: trace = 2.485865549531818 (1.64483e-07% change)
linmin: converged after 6 iterations.
iteration 601: trace = 2.485865547203728 (9.36531e-08% change)
large trace change predicted (2.17335e-07%)
linmin: converged after 4 iterations.
iteration 602: trace = 2.485865541801099 (2.17334e-07% change)
linmin: converged after 3 iterations.
iteration 603: trace = 2.485865536131561 (2.28071e-07% change)
linmin: converged after 9 iterations.
iteration 604: trace = 2.485865532492405 (1.46394e-07% change)
large trace change predicted (3.47301e-07%)
linmin: converged after 8 iterations.
iteration 605: trace = 2.485865523859311 (3.47287e-07% change)
linmin: converged after 6 iterations.
iteration 606: trace = 2.485865519053076 (1.93343e-07% change)
linmin: converged after 8 iterations.
iteration 607: trace = 2.485865516999705 (8.26018e-08% change)
large trace change predicted (3.24611e-07%)
linmin: converged after 4 iterations.
iteration 608: trace = 2.485865508930416 (3.24607e-07% change)
linmin: converged after 3 iterations.
iteration 609: trace = 2.485865503966822 (1.99673e-07% change)
linmin: converged after 4 iterations.
iteration 610: trace = 2.485865498832388 (2.06545e-07% change)
linmin: converged after 4 iterations.
iteration 611: trace = 2.485865491854048 (2.80721e-07% change)
linmin: converged after 14 iterations.
iteration 612: trace = 2.485865482931558 (3.58929e-07% change)
linmin: converged after 10 iterations.
iteration 613: trace = 2.485865481365619 (6.29937e-08% change)
large trace change predicted (2.19712e-07%)
linmin: converged after 4 iterations.
iteration 614: trace = 2.485865475903803 (2.19715e-07% change)
linmin: converged after 4 iterations.
iteration 615: trace = 2.485865472071529 (1.54163e-07% change)
linmin: converged after 6 iterations.
iteration 616: trace = 2.485865471161913 (3.65915e-08% change)
large trace change predicted (9.4761e-08%)
linmin: converged after 6 iterations.
iteration 617: trace = 2.485865468806269 (9.47615e-08% change)
linmin: converged after 2 iterations.
iteration 618: trace = 2.485865465853961 (1.18764e-07% change)
linmin: converged after 27 iterations.
iteration 619: trace = 2.485865464892822 (3.86642e-08% change)
large trace change predicted (1.09374e-07%)
linmin: converged after 2 iterations.
iteration 620: trace = 2.485865462173916 (1.09375e-07% change)
linmin: converged after 5 iterations.
iteration 621: trace = 2.485865459243237 (1.17894e-07% change)
linmin: converged after 4 iterations.
iteration 622: trace = 2.485865458284646 (3.85617e-08% change)
large trace change predicted (1.13672e-07%)
linmin: converged after 4 iterations.
iteration 623: trace = 2.485865455458881 (1.13673e-07% change)
linmin: converged after 12 iterations.
iteration 624: trace = 2.485865450855711 (1.85174e-07% change)
linmin: converged after 28 iterations.
iteration 625: trace = 2.485865449820198 (4.1656e-08% change)
large trace change predicted (1.97861e-07%)
linmin: converged after 8 iterations.
iteration 626: trace = 2.485865444901576 (1.97864e-07% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.485865442227376 (1.07576e-07% change)
linmin: converged after 3 iterations.
iteration 628: trace = 2.48586544082506 (5.64116e-08% change)
large trace change predicted (1.3045e-07%)
linmin: converged after 4 iterations.
iteration 629: trace = 2.485865437582248 (1.3045e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.48586543541829 (8.70505e-08% change)
linmin: converged after 6 iterations.
iteration 631: trace = 2.485865433787513 (6.5602e-08% change)
linmin: converged after 6 iterations.
iteration 632: trace = 2.485865430826964 (1.19095e-07% change)
linmin: converged after 3 iterations.
iteration 633: trace = 2.485865427173128 (1.46984e-07% change)
linmin: converged after 22 iterations.
iteration 634: trace = 2.485865425780974 (5.60028e-08% change)
large trace change predicted (1.63076e-07%)
linmin: converged after 12 iterations.
iteration 635: trace = 2.485865421727208 (1.63073e-07% change)
linmin: converged after 5 iterations.
iteration 636: trace = 2.485865420716171 (4.06714e-08% change)
linmin: converged after 8 iterations.
iteration 637: trace = 2.485865418741218 (7.94473e-08% change)
linmin: converged after 4 iterations.
iteration 638: trace = 2.485865416308797 (9.78501e-08% change)
linmin: converged after 4 iterations.
iteration 639: trace = 2.485865415586216 (2.90676e-08% change)
large trace change predicted (7.8939e-08%)
linmin: converged after 3 iterations.
iteration 640: trace = 2.485865413623912 (7.89385e-08% change)
linmin: converged after 4 iterations.
iteration 641: trace = 2.485865411064103 (1.02975e-07% change)
linmin: converged after 3 iterations.
iteration 642: trace = 2.485865409666585 (5.62186e-08% change)
linmin: converged after 3 iterations.
iteration 643: trace = 2.485865408621831 (4.20278e-08% change)
large trace change predicted (1.1032e-07%)
linmin: converged after 6 iterations.
iteration 644: trace = 2.485865405879441 (1.10319e-07% change)
linmin: converged after 4 iterations.
iteration 645: trace = 2.485865404359473 (6.11444e-08% change)
large trace change predicted (1.35969e-07%)
linmin: converged after 7 iterations.
iteration 646: trace = 2.485865400979491 (1.35968e-07% change)
linmin: converged after 17 iterations.
iteration 647: trace = 2.48586539529247 (2.28774e-07% change)
linmin: converged after 29 iterations.
iteration 648: trace = 2.485865393324314 (7.91739e-08% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.485865389599396 (1.49844e-07% change)
linmin: converged after 4 iterations.
iteration 650: trace = 2.48586538469004 (1.97491e-07% change)
linmin: converged after 4 iterations.
iteration 651: trace = 2.485865383643857 (4.20853e-08% change)
large trace change predicted (1.66559e-07%)
linmin: converged after 4 iterations.
iteration 652: trace = 2.485865379503407 (1.6656e-07% change)
linmin: converged after 3 iterations.
iteration 653: trace = 2.485865377013683 (1.00155e-07% change)
linmin: converged after 5 iterations.
iteration 654: trace = 2.485865375630695 (5.5634e-08% change)
large trace change predicted (1.67618e-07%)
linmin: converged after 3 iterations.
iteration 655: trace = 2.485865371463805 (1.67623e-07% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.485865368074782 (1.36332e-07% change)
linmin: converged after 4 iterations.
iteration 657: trace = 2.485865366747093 (5.34095e-08% change)
large trace change predicted (1.17999e-07%)
linmin: converged after 3 iterations.
iteration 658: trace = 2.485865363813772 (1.18e-07% change)
linmin: converged after 4 iterations.
iteration 659: trace = 2.485865361439716 (9.55022e-08% change)
linmin: converged after 2 iterations.
iteration 660: trace = 2.485865359244011 (8.83276e-08% change)
linmin: converged after 12 iterations.
iteration 661: trace = 2.485865358233724 (4.06413e-08% change)
large trace change predicted (1.01237e-07%)
linmin: converged after 3 iterations.
iteration 662: trace = 2.485865355717102 (1.01237e-07% change)
linmin: converged after 4 iterations.
iteration 663: trace = 2.48586535300271 (1.09193e-07% change)
linmin: converged after 4 iterations.
iteration 664: trace = 2.485865351824437 (4.73989e-08% change)
large trace change predicted (1.50156e-07%)
linmin: converged after 2 iterations.
iteration 665: trace = 2.485865348091738 (1.50157e-07% change)
linmin: converged after 4 iterations.
iteration 666: trace = 2.485865345448826 (1.06318e-07% change)
linmin: converged after 11 iterations.
iteration 667: trace = 2.485865343746249 (6.84903e-08% change)
large trace change predicted (1.49826e-07%)
linmin: converged after 4 iterations.
iteration 668: trace = 2.485865340021753 (1.49827e-07% change)
linmin: converged after 7 iterations.
iteration 669: trace = 2.485865339024858 (4.01025e-08% change)
large trace change predicted (1.21677e-07%)
linmin: converged after 22 iterations.
iteration 670: trace = 2.485865336000082 (1.21679e-07% change)
linmin: converged after 6 iterations.
iteration 671: trace = 2.485865333249115 (1.10664e-07% change)
linmin: converged after 3 iterations.
iteration 672: trace = 2.485865331497596 (7.04591e-08% change)
linmin: converged after 2 iterations.
iteration 673: trace = 2.485865328692755 (1.12832e-07% change)
linmin: converged after 17 iterations.
iteration 674: trace = 2.485865324656489 (1.62369e-07% change)
linmin: converged after 7 iterations.
iteration 675: trace = 2.485865323681069 (3.92387e-08% change)
large trace change predicted (1.06218e-07%)
linmin: converged after 4 iterations.
iteration 676: trace = 2.48586532104061 (1.06219e-07% change)
linmin: converged after 4 iterations.
iteration 677: trace = 2.485865318047731 (1.20396e-07% change)
linmin: converged after 4 iterations.
iteration 678: trace = 2.485865317355628 (2.78415e-08% change)
large trace change predicted (1.01426e-07%)
linmin: converged after 2 iterations.
iteration 679: trace = 2.485865314834305 (1.01426e-07% change)
linmin: converged after 3 iterations.
iteration 680: trace = 2.485865312919978 (7.70085e-08% change)
linmin: converged after 6 iterations.
iteration 681: trace = 2.485865312027291 (3.59105e-08% change)
linmin: converged after 4 iterations.
iteration 682: trace = 2.485865310276112 (7.04454e-08% change)
linmin: converged after 19 iterations.
iteration 683: trace = 2.485865307493994 (1.11917e-07% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.485865306098545 (5.61353e-08% change)
large trace change predicted (1.32098e-07%)
linmin: converged after 4 iterations.
iteration 685: trace = 2.485865302814865 (1.32094e-07% change)
linmin: converged after 13 iterations.
iteration 686: trace = 2.485865300026325 (1.12176e-07% change)
linmin: converged after 3 iterations.
iteration 687: trace = 2.485865299163148 (3.47234e-08% change)
large trace change predicted (1.03175e-07%)
linmin: converged after 4 iterations.
iteration 688: trace = 2.485865296598393 (1.03174e-07% change)
linmin: converged after 3 iterations.
iteration 689: trace = 2.485865294306469 (9.21982e-08% change)
linmin: converged after 5 iterations.
iteration 690: trace = 2.485865293381978 (3.71899e-08% change)
large trace change predicted (9.65726e-08%)
linmin: converged after 13 iterations.
iteration 691: trace = 2.485865290981323 (9.65722e-08% change)
linmin: converged after 3 iterations.
iteration 692: trace = 2.485865289201401 (7.16017e-08% change)
linmin: converged after 3 iterations.
iteration 693: trace = 2.485865288198151 (4.03582e-08% change)
linmin: converged after 4 iterations.
iteration 694: trace = 2.485865286439175 (7.07591e-08% change)
linmin: converged after 8 iterations.
iteration 695: trace = 2.485865283907873 (1.01828e-07% change)
linmin: converged after 16 iterations.
iteration 696: trace = 2.485865283583839 (1.3035e-08% change)
large trace change predicted (5.9495e-08%)
linmin: converged after 4 iterations.
iteration 697: trace = 2.485865282104879 (5.94948e-08% change)
linmin: converged after 4 iterations.
iteration 698: trace = 2.485865280604293 (6.03648e-08% change)
large trace change predicted (1.33776e-07%)
linmin: converged after 4 iterations.
iteration 699: trace = 2.485865277278877 (1.33773e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 700: trace = 2.485865274452708 (1.1369e-07% change)
linmin: converged after 4 iterations.
iteration 701: trace = 2.485865273109587 (5.40303e-08% change)
linmin: converged after 2 iterations.
iteration 702: trace = 2.485865272512046 (2.40375e-08% change)
linmin: converged after 4 iterations.
iteration 703: trace = 2.485865271690666 (3.3042e-08% change)
linmin: converged after 4 iterations.
iteration 704: trace = 2.48586527009937 (6.40137e-08% change)
linmin: converged after 6 iterations.
iteration 705: trace = 2.485865269650481 (1.80577e-08% change)
large trace change predicted (6.21585e-08%)
linmin: converged after 7 iterations.
iteration 706: trace = 2.485865268105322 (6.21578e-08% change)
linmin: converged after 4 iterations.
iteration 707: trace = 2.485865266427404 (6.74984e-08% change)
linmin: converged after 2 iterations.
iteration 708: trace = 2.485865265636122 (3.18312e-08% change)
linmin: converged after 16 iterations.
iteration 709: trace = 2.485865264471996 (4.68298e-08% change)
linmin: converged after 4 iterations.
iteration 710: trace = 2.48586526278609 (6.78197e-08% change)
linmin: converged after 4 iterations.
iteration 711: trace = 2.485865262330762 (1.83167e-08% change)
large trace change predicted (7.09122e-08%)
linmin: converged after 7 iterations.
iteration 712: trace = 2.48586526056796 (7.0913e-08% change)
linmin: converged after 4 iterations.
iteration 713: trace = 2.485865259129184 (5.78783e-08% change)
linmin: converged after 5 iterations.
iteration 714: trace = 2.485865258609236 (2.09162e-08% change)
large trace change predicted (8.90484e-08%)
linmin: converged after 5 iterations.
iteration 715: trace = 2.485865256395566 (8.90503e-08% change)
linmin: converged after 5 iterations.
iteration 716: trace = 2.485865254644665 (7.04342e-08% change)
linmin: converged after 18 iterations.
iteration 717: trace = 2.485865254231463 (1.66221e-08% change)
large trace change predicted (3.49756e-08%)
linmin: converged after 6 iterations.
iteration 718: trace = 2.485865253362014 (3.49757e-08% change)
linmin: converged after 3 iterations.
iteration 719: trace = 2.485865252400799 (3.86672e-08% change)
linmin: converged after 4 iterations.
iteration 720: trace = 2.485865252134373 (1.07176e-08% change)
large trace change predicted (4.68321e-08%)
linmin: converged after 4 iterations.
iteration 721: trace = 2.485865250970197 (4.68319e-08% change)
linmin: converged after 4 iterations.
iteration 722: trace = 2.485865249725378 (5.00759e-08% change)
linmin: converged after 6 iterations.
iteration 723: trace = 2.485865249303344 (1.69774e-08% change)
large trace change predicted (4.16707e-08%)
linmin: converged after 4 iterations.
iteration 724: trace = 2.485865248267469 (4.16706e-08% change)
linmin: converged after 4 iterations.
iteration 725: trace = 2.485865246820299 (5.82159e-08% change)
linmin: converged after 4 iterations.
iteration 726: trace = 2.48586524644703 (1.50157e-08% change)
large trace change predicted (4.78694e-08%)
linmin: converged after 9 iterations.
iteration 727: trace = 2.485865245257072 (4.78689e-08% change)
linmin: converged after 5 iterations.
iteration 728: trace = 2.485865244055209 (4.83479e-08% change)
linmin: converged after 24 iterations.
iteration 729: trace = 2.485865243396975 (2.64791e-08% change)
linmin: converged after 4 iterations.
iteration 730: trace = 2.485865242756343 (2.5771e-08% change)
linmin: converged after 8 iterations.
iteration 731: trace = 2.485865241644774 (4.47156e-08% change)
linmin: converged after 2 iterations.
iteration 732: trace = 2.485865241069395 (2.3146e-08% change)
linmin: converged after 4 iterations.
iteration 733: trace = 2.485865240248724 (3.30135e-08% change)
linmin: converged after 7 iterations.
iteration 734: trace = 2.485865239042962 (4.85047e-08% change)
linmin: converged after 4 iterations.
iteration 735: trace = 2.48586523848481 (2.2453e-08% change)
linmin: converged after 3 iterations.
iteration 736: trace = 2.485865238100206 (1.54716e-08% change)
large trace change predicted (3.4548e-08%)
linmin: converged after 3 iterations.
iteration 737: trace = 2.485865237241395 (3.45478e-08% change)
linmin: converged after 20 iterations.
iteration 738: trace = 2.485865236900455 (1.37152e-08% change)
linmin: converged after 3 iterations.
iteration 739: trace = 2.485865236454114 (1.79552e-08% change)
linmin: converged after 4 iterations.
iteration 740: trace = 2.485865235980166 (1.90657e-08% change)
linmin: converged after 4 iterations.
iteration 741: trace = 2.485865235703937 (1.1112e-08% change)
large trace change predicted (2.86331e-08%)
linmin: converged after 3 iterations.
iteration 742: trace = 2.485865234992159 (2.8633e-08% change)
linmin: converged after 4 iterations.
iteration 743: trace = 2.485865233985277 (4.05043e-08% change)
linmin: converged after 3 iterations.
iteration 744: trace = 2.485865233754162 (9.29717e-09% change)
large trace change predicted (3.0813e-08%)
linmin: converged after 7 iterations.
iteration 745: trace = 2.485865232988195 (3.08129e-08% change)
linmin: converged after 2 iterations.
iteration 746: trace = 2.48586523222742 (3.06041e-08% change)
linmin: converged after 4 iterations.
iteration 747: trace = 2.485865231670393 (2.24078e-08% change)
linmin: converged after 2 iterations.
iteration 748: trace = 2.485865231406732 (1.06064e-08% change)
large trace change predicted (3.46596e-08%)
linmin: converged after 16 iterations.
iteration 749: trace = 2.485865230545142 (3.46596e-08% change)
linmin: converged after 24 iterations.
iteration 750: trace = 2.485865229954649 (2.3754e-08% change)
linmin: converged after 3 iterations.
iteration 751: trace = 2.485865229421019 (2.14666e-08% change)
linmin: converged after 4 iterations.
iteration 752: trace = 2.485865228599152 (3.30616e-08% change)
linmin: converged after 3 iterations.
iteration 753: trace = 2.48586522777317 (3.32271e-08% change)
linmin: converged after 2 iterations.
iteration 754: trace = 2.485865227627385 (5.86455e-09% change)
large trace change predicted (2.5362e-08%)
linmin: converged after 3 iterations.
iteration 755: trace = 2.485865226996919 (2.5362e-08% change)
linmin: converged after 4 iterations.
iteration 756: trace = 2.485865226777721 (8.81777e-09% change)
linmin: converged after 4 iterations.
iteration 757: trace = 2.485865226608296 (6.81555e-09% change)
linmin: converged after 2 iterations.
iteration 758: trace = 2.4858652262888 (1.28525e-08% change)
linmin: converged after 3 iterations.
iteration 759: trace = 2.485865226040943 (9.97065e-09% change)
linmin: converged after 36 iterations.
iteration 760: trace = 2.485865225811314 (9.23738e-09% change)
linmin: converged after 7 iterations.
iteration 761: trace = 2.485865225440171 (1.49302e-08% change)
linmin: converged after 4 iterations.
iteration 762: trace = 2.485865225288361 (6.10691e-09% change)
linmin: converged after 8 iterations.
iteration 763: trace = 2.485865225055666 (9.36071e-09% change)
large trace change predicted (2.08393e-08%)
linmin: converged after 3 iterations.
iteration 764: trace = 2.485865224537629 (2.08393e-08% change)
linmin: converged after 4 iterations.
iteration 765: trace = 2.485865224428886 (4.37444e-09% change)
large trace change predicted (2.18974e-08%)
linmin: converged after 2 iterations.
iteration 766: trace = 2.485865223884546 (2.18974e-08% change)
linmin: converged after 4 iterations.
iteration 767: trace = 2.485865223528712 (1.43143e-08% change)
linmin: converged after 19 iterations.
iteration 768: trace = 2.485865223237374 (1.17197e-08% change)
linmin: converged after 3 iterations.
iteration 769: trace = 2.485865223118294 (4.79028e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 770: trace = 2.485865223011 (4.31619e-09% change)
large trace change predicted (9.04054e-09%)
linmin: converged after 3 iterations.
iteration 771: trace = 2.485865222786265 (9.04051e-09% change)
linmin: converged after 3 iterations.
iteration 772: trace = 2.485865222399922 (1.55416e-08% change)
linmin: converged after 20 iterations.
iteration 773: trace = 2.485865222186273 (8.59454e-09% change)
linmin: converged after 6 iterations.
iteration 774: trace = 2.485865221898463 (1.15779e-08% change)
linmin: converged after 5 iterations.
iteration 775: trace = 2.48586522146721 (1.73482e-08% change)
linmin: converged after 3 iterations.
iteration 776: trace = 2.485865221322491 (5.82165e-09% change)
linmin: converged after 4 iterations.
iteration 777: trace = 2.485865221071898 (1.00807e-08% change)
linmin: converged after 14 iterations.
iteration 778: trace = 2.485865220836317 (9.4768e-09% change)
linmin: converged after 4 iterations.
iteration 779: trace = 2.485865220740158 (3.86823e-09% change)
large trace change predicted (1.14534e-08%)
linmin: converged after 4 iterations.
iteration 780: trace = 2.485865220455443 (1.14534e-08% change)
linmin: converged after 3 iterations.
iteration 781: trace = 2.485865220145579 (1.2465e-08% change)
linmin: converged after 5 iterations.
iteration 782: trace = 2.485865220056235 (3.5941e-09% change)
large trace change predicted (7.83068e-09%)
linmin: converged after 21 iterations.
iteration 783: trace = 2.485865219861578 (7.83052e-09% change)
linmin: converged after 3 iterations.
iteration 784: trace = 2.485865219507575 (1.42406e-08% change)
linmin: converged after 4 iterations.
iteration 785: trace = 2.485865219385597 (4.90688e-09% change)
large trace change predicted (2.33241e-08%)
linmin: converged after 6 iterations.
iteration 786: trace = 2.485865218805796 (2.33239e-08% change)
linmin: converged after 14 iterations.
iteration 787: trace = 2.48586521851486 (1.17036e-08% change)
linmin: converged after 8 iterations.
iteration 788: trace = 2.485865218115399 (1.60693e-08% change)
linmin: converged after 5 iterations.
iteration 789: trace = 2.485865217583654 (2.13907e-08% change)
linmin: converged after 6 iterations.
iteration 790: trace = 2.485865217173871 (1.64845e-08% change)
linmin: converged after 3 iterations.
iteration 791: trace = 2.485865216926728 (9.94194e-09% change)
linmin: converged after 3 iterations.
iteration 792: trace = 2.485865216527604 (1.60557e-08% change)
linmin: converged after 4 iterations.
iteration 793: trace = 2.48586521613341 (1.58574e-08% change)
linmin: converged after 19 iterations.
iteration 794: trace = 2.485865216008527 (5.02371e-09% change)
large trace change predicted (2.05309e-08%)
linmin: converged after 28 iterations.
iteration 795: trace = 2.485865215498157 (2.05309e-08% change)
linmin: converged after 3 iterations.
iteration 796: trace = 2.485865215057126 (1.77415e-08% change)
linmin: converged after 4 iterations.
iteration 797: trace = 2.485865214868046 (7.60624e-09% change)
linmin: converged after 18 iterations.
iteration 798: trace = 2.485865214627248 (9.68667e-09% change)
linmin: converged after 3 iterations.
iteration 799: trace = 2.48586521436607 (1.05065e-08% change)
linmin: converged after 5 iterations.
iteration 800: trace = 2.485865214260306 (4.25463e-09% change)
large trace change predicted (9.64774e-09%)
linmin: converged after 5 iterations.
iteration 801: trace = 2.485865214020475 (9.6478e-09% change)
linmin: converged after 8 iterations.
iteration 802: trace = 2.485865213660384 (1.44855e-08% change)
linmin: converged after 18 iterations.
iteration 803: trace = 2.485865213293775 (1.47477e-08% change)
linmin: converged after 3 iterations.
iteration 804: trace = 2.485865213147058 (5.90203e-09% change)
large trace change predicted (1.40192e-08%)
linmin: converged after 27 iterations.
iteration 805: trace = 2.485865212798556 (1.40194e-08% change)
linmin: converged after 23 iterations.
iteration 806: trace = 2.485865212446051 (1.41803e-08% change)
linmin: converged after 4 iterations.
iteration 807: trace = 2.48586521225953 (7.50328e-09% change)
large trace change predicted (1.82494e-08%)
linmin: converged after 12 iterations.
iteration 808: trace = 2.485865211805874 (1.82494e-08% change)
linmin: converged after 19 iterations.
iteration 809: trace = 2.48586521154175 (1.0625e-08% change)
linmin: converged after 24 iterations.
iteration 810: trace = 2.485865211390417 (6.08773e-09% change)
large trace change predicted (1.64098e-08%)
linmin: converged after 5 iterations.
iteration 811: trace = 2.48586521098249 (1.64099e-08% change)
linmin: converged after 4 iterations.
iteration 812: trace = 2.485865210631671 (1.41126e-08% change)
linmin: converged after 4 iterations.
iteration 813: trace = 2.485865210438951 (7.75262e-09% change)
large trace change predicted (1.78519e-08%)
linmin: converged after 16 iterations.
iteration 814: trace = 2.485865209995174 (1.7852e-08% change)
linmin: converged after 4 iterations.
iteration 815: trace = 2.485865209712896 (1.13553e-08% change)
linmin: converged after 4 iterations.
iteration 816: trace = 2.485865209574998 (5.54729e-09% change)
large trace change predicted (1.42357e-08%)
linmin: converged after 6 iterations.
iteration 817: trace = 2.485865209221114 (1.42358e-08% change)
linmin: converged after 2 iterations.
iteration 818: trace = 2.485865208981652 (9.63294e-09% change)
linmin: converged after 5 iterations.
iteration 819: trace = 2.485865208898662 (3.3385e-09% change)
large trace change predicted (1.07403e-08%)
linmin: converged after 4 iterations.
iteration 820: trace = 2.485865208631673 (1.07403e-08% change)
linmin: converged after 7 iterations.
iteration 821: trace = 2.485865208468182 (6.57682e-09% change)
linmin: converged after 24 iterations.
iteration 822: trace = 2.485865208357853 (4.43824e-09% change)
large trace change predicted (1.4529e-08%)
linmin: converged after 6 iterations.
iteration 823: trace = 2.485865207996689 (1.45287e-08% change)
linmin: converged after 4 iterations.
iteration 824: trace = 2.485865207478519 (2.08446e-08% change)
linmin: converged after 14 iterations.
iteration 825: trace = 2.485865207342512 (5.47122e-09% change)
linmin: converged after 12 iterations.
iteration 826: trace = 2.485865207111771 (9.28211e-09% change)
linmin: converged after 6 iterations.
iteration 827: trace = 2.485865206773928 (1.35906e-08% change)
linmin: converged after 28 iterations.
iteration 828: trace = 2.485865206645257 (5.1761e-09% change)
linmin: converged after 4 iterations.
iteration 829: trace = 2.48586520642048 (9.04221e-09% change)
linmin: converged after 4 iterations.
iteration 830: trace = 2.485865206093515 (1.3153e-08% change)
linmin: converged after 9 iterations.
iteration 831: trace = 2.485865205921032 (6.93856e-09% change)
linmin: converged after 12 iterations.
iteration 832: trace = 2.485865205810471 (4.44756e-09% change)
large trace change predicted (1.16417e-08%)
linmin: converged after 3 iterations.
iteration 833: trace = 2.485865205521074 (1.16417e-08% change)
linmin: converged after 18 iterations.
iteration 834: trace = 2.485865205456227 (2.60864e-09% change)
large trace change predicted (9.12047e-09%)
linmin: converged after 6 iterations.
iteration 835: trace = 2.485865205229504 (9.12049e-09% change)
linmin: converged after 12 iterations.
iteration 836: trace = 2.485865205086512 (5.75221e-09% change)
linmin: converged after 15 iterations.
iteration 837: trace = 2.485865205035641 (2.0464e-09% change)
large trace change predicted (7.69715e-09%)
linmin: converged after 4 iterations.
iteration 838: trace = 2.485865204844301 (7.69713e-09% change)
large trace change predicted (3.31943e-08%)
linmin: converged after 8 iterations.
iteration 839: trace = 2.485865204019138 (3.31942e-08% change)
resetting CG direction...
linmin: converged after 25 iterations.
iteration 840: trace = 2.485865203667318 (1.41529e-08% change)
linmin: converged after 2 iterations.
iteration 841: trace = 2.485865203254224 (1.66177e-08% change)
linmin: converged after 26 iterations.
iteration 842: trace = 2.485865203122991 (5.27918e-09% change)
linmin: converged after 12 iterations.
iteration 843: trace = 2.485865203082156 (1.64267e-09% change)
large trace change predicted (4.71965e-09%)
linmin: converged after 3 iterations.
iteration 844: trace = 2.485865202964833 (4.71961e-09% change)
linmin: converged after 19 iterations.
iteration 845: trace = 2.485865202835416 (5.20615e-09% change)
linmin: converged after 4 iterations.
iteration 846: trace = 2.485865202757523 (3.13341e-09% change)
large trace change predicted (8.64022e-09%)
linmin: converged after 4 iterations.
iteration 847: trace = 2.485865202542741 (8.64015e-09% change)
linmin: converged after 8 iterations.
iteration 848: trace = 2.485865202467049 (3.04489e-09% change)
linmin: converged after 4 iterations.
iteration 849: trace = 2.485865202324093 (5.75073e-09% change)
linmin: converged after 4 iterations.
iteration 850: trace = 2.485865202136429 (7.54926e-09% change)
linmin: converged after 4 iterations.
iteration 851: trace = 2.485865202063151 (2.9478e-09% change)
linmin: converged after 4 iterations.
iteration 852: trace = 2.485865201916832 (5.88602e-09% change)
linmin: converged after 36 iterations.
iteration 853: trace = 2.485865201719041 (7.95661e-09% change)
linmin: converged after 3 iterations.
iteration 854: trace = 2.48586520160303 (4.66685e-09% change)
linmin: converged after 4 iterations.
iteration 855: trace = 2.485865201522344 (3.2458e-09% change)
large trace change predicted (9.49741e-09%)
linmin: converged after 4 iterations.
iteration 856: trace = 2.485865201286249 (9.4975e-09% change)
linmin: converged after 25 iterations.
iteration 857: trace = 2.485865201174299 (4.50346e-09% change)
linmin: converged after 10 iterations.
iteration 858: trace = 2.48586520109472 (3.20124e-09% change)
linmin: converged after 19 iterations.
iteration 859: trace = 2.485865200981267 (4.56392e-09% change)
linmin: converged after 4 iterations.
iteration 860: trace = 2.485865200916747 (2.59549e-09% change)
linmin: converged after 5 iterations.
iteration 861: trace = 2.485865200849259 (2.71484e-09% change)
linmin: converged after 15 iterations.
iteration 862: trace = 2.485865200718574 (5.25715e-09% change)
linmin: converged after 3 iterations.
iteration 863: trace = 2.485865200638832 (3.2078e-09% change)
linmin: converged after 4 iterations.
iteration 864: trace = 2.485865200558919 (3.21471e-09% change)
linmin: converged after 4 iterations.
iteration 865: trace = 2.485865200411697 (5.92234e-09% change)
linmin: converged after 4 iterations.
iteration 866: trace = 2.48586520028927 (4.92496e-09% change)
linmin: converged after 25 iterations.
iteration 867: trace = 2.485865200240234 (1.97257e-09% change)
large trace change predicted (7.01101e-09%)
linmin: converged after 13 iterations.
iteration 868: trace = 2.485865200065955 (7.01079e-09% change)
linmin: converged after 4 iterations.
iteration 869: trace = 2.485865199934836 (5.27459e-09% change)
linmin: converged after 16 iterations.
iteration 870: trace = 2.485865199890833 (1.77015e-09% change)
linmin: converged after 4 iterations.
iteration 871: trace = 2.485865199814926 (3.05354e-09% change)
linmin: converged after 21 iterations.
iteration 872: trace = 2.485865199681697 (5.35944e-09% change)
linmin: converged after 4 iterations.
iteration 873: trace = 2.485865199636535 (1.81676e-09% change)
large trace change predicted (4.18242e-09%)
linmin: converged after 4 iterations.
iteration 874: trace = 2.485865199532565 (4.18245e-09% change)
linmin: converged after 5 iterations.
iteration 875: trace = 2.485865199443655 (3.57663e-09% change)
linmin: converged after 10 iterations.
iteration 876: trace = 2.485865199402514 (1.65499e-09% change)
large trace change predicted (3.5557e-09%)
linmin: converged after 3 iterations.
iteration 877: trace = 2.485865199314126 (3.55562e-09% change)
linmin: converged after 3 iterations.
iteration 878: trace = 2.485865199229332 (3.41104e-09% change)
linmin: converged after 21 iterations.
iteration 879: trace = 2.485865199200734 (1.15044e-09% change)
linmin: converged after 9 iterations.
iteration 880: trace = 2.485865199156711 (1.77092e-09% change)
linmin: converged after 16 iterations.
iteration 881: trace = 2.48586519909115 (2.63736e-09% change)
linmin: converged after 5 iterations.
iteration 882: trace = 2.48586519906895 (8.9305e-10% change)
large trace change predicted (3.83822e-09%)
linmin: converged after 3 iterations.
iteration 883: trace = 2.48586519897354 (3.83808e-09% change)
linmin: converged after 4 iterations.
iteration 884: trace = 2.485865198901119 (2.91332e-09% change)
linmin: converged after 3 iterations.
iteration 885: trace = 2.485865198861212 (1.60535e-09% change)
large trace change predicted (3.68247e-09%)
linmin: converged after 6 iterations.
iteration 886: trace = 2.485865198769671 (3.68246e-09% change)
linmin: converged after 4 iterations.
iteration 887: trace = 2.485865198706022 (2.56044e-09% change)
linmin: converged after 2 iterations.
iteration 888: trace = 2.485865198656273 (2.00128e-09% change)
linmin: converged after 2 iterations.
iteration 889: trace = 2.485865198614059 (1.69817e-09% change)
large trace change predicted (3.805e-09%)
linmin: converged after 7 iterations.
iteration 890: trace = 2.485865198519475 (3.80487e-09% change)
linmin: converged after 6 iterations.
iteration 891: trace = 2.485865198489881 (1.19051e-09% change)
large trace change predicted (3.10238e-09%)
linmin: converged after 21 iterations.
iteration 892: trace = 2.48586519841276 (3.10236e-09% change)
linmin: converged after 4 iterations.
iteration 893: trace = 2.485865198303793 (4.38345e-09% change)
linmin: converged after 12 iterations.
iteration 894: trace = 2.485865198269464 (1.381e-09% change)
large trace change predicted (2.81361e-09%)
linmin: converged after 8 iterations.
iteration 895: trace = 2.485865198199524 (2.81349e-09% change)
linmin: converged after 2 iterations.
iteration 896: trace = 2.485865198136266 (2.5447e-09% change)
linmin: converged after 8 iterations.
iteration 897: trace = 2.485865198118605 (7.10474e-10% change)
linmin: converged after 4 iterations.
iteration 898: trace = 2.485865198095173 (9.42588e-10% change)
linmin: converged after 2 iterations.
iteration 899: trace = 2.485865198049976 (1.81818e-09% change)
linmin: converged after 4 iterations.
iteration 900: trace = 2.485865198011751 (1.53768e-09% change)
linmin: converged after 4 iterations.
iteration 901: trace = 2.485865197997444 (5.75525e-10% change)
large trace change predicted (1.29855e-09%)
linmin: converged after 6 iterations.
iteration 902: trace = 2.485865197965164 (1.29854e-09% change)
linmin: converged after 4 iterations.
iteration 903: trace = 2.485865197929426 (1.43765e-09% change)
linmin: converged after 5 iterations.
iteration 904: trace = 2.485865197915947 (5.42226e-10% change)
large trace change predicted (2.17089e-09%)
linmin: converged after 3 iterations.
iteration 905: trace = 2.485865197861982 (2.17087e-09% change)
linmin: converged after 3 iterations.
iteration 906: trace = 2.485865197821792 (1.61676e-09% change)
linmin: converged after 4 iterations.
iteration 907: trace = 2.485865197805183 (6.68135e-10% change)
large trace change predicted (1.59801e-09%)
linmin: converged after 2 iterations.
iteration 908: trace = 2.485865197765459 (1.598e-09% change)
linmin: converged after 6 iterations.
iteration 909: trace = 2.485865197749646 (6.36086e-10% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 910: trace = 2.485865197740856 (3.53611e-10% change)
large trace change predicted (1.7187e-09%)
linmin: converged after 10 iterations.
iteration 911: trace = 2.485865197698129 (1.71879e-09% change)
linmin: converged after 9 iterations.
iteration 912: trace = 2.48586519768293 (6.11415e-10% change)
large trace change predicted (1.2979e-09%)
linmin: converged after 6 iterations.
iteration 913: trace = 2.485865197650669 (1.29781e-09% change)
linmin: converged after 6 iterations.
iteration 914: trace = 2.485865197605567 (1.81433e-09% change)
linmin: converged after 4 iterations.
iteration 915: trace = 2.485865197587486 (7.27356e-10% change)
linmin: converged after 6 iterations.
iteration 916: trace = 2.485865197563741 (9.55201e-10% change)
linmin: converged after 9 iterations.
iteration 917: trace = 2.48586519753317 (1.22978e-09% change)
linmin: converged after 12 iterations.
iteration 918: trace = 2.485865197523846 (3.75102e-10% change)
large trace change predicted (1.24119e-09%)
linmin: converged after 3 iterations.
iteration 919: trace = 2.485865197492994 (1.24109e-09% change)
linmin: converged after 4 iterations.
iteration 920: trace = 2.485865197465914 (1.08936e-09% change)
linmin: converged after 13 iterations.
iteration 921: trace = 2.48586519745559 (4.15316e-10% change)
large trace change predicted (1.615e-09%)
linmin: converged after 12 iterations.
iteration 922: trace = 2.48586519741544 (1.6151e-09% change)
linmin: converged after 8 iterations.
iteration 923: trace = 2.485865197376865 (1.55181e-09% change)
linmin: converged after 2 iterations.
iteration 924: trace = 2.485865197352932 (9.62758e-10% change)
linmin: converged after 3 iterations.
iteration 925: trace = 2.485865197324163 (1.1573e-09% change)
large trace change predicted (2.85902e-09%)
linmin: converged after 4 iterations.
iteration 926: trace = 2.48586519725309 (2.85906e-09% change)
linmin: converged after 5 iterations.
iteration 927: trace = 2.48586519721596 (1.49364e-09% change)
linmin: converged after 2 iterations.
iteration 928: trace = 2.485865197160825 (2.21798e-09% change)
linmin: converged after 10 iterations.
iteration 929: trace = 2.48586519711066 (2.01798e-09% change)
linmin: converged after 10 iterations.
iteration 930: trace = 2.485865197080857 (1.19893e-09% change)
linmin: converged after 4 iterations.
iteration 931: trace = 2.485865197051823 (1.16793e-09% change)
linmin: converged after 6 iterations.
iteration 932: trace = 2.485865197001735 (2.01491e-09% change)
linmin: converged after 2 iterations.
iteration 933: trace = 2.485865196989136 (5.06854e-10% change)
large trace change predicted (1.47688e-09%)
linmin: converged after 2 iterations.
iteration 934: trace = 2.485865196952425 (1.47679e-09% change)
linmin: converged after 4 iterations.
iteration 935: trace = 2.485865196902827 (1.99517e-09% change)
linmin: converged after 7 iterations.
iteration 936: trace = 2.485865196851753 (2.05459e-09% change)
linmin: converged after 8 iterations.
iteration 937: trace = 2.48586519684065 (4.4665e-10% change)
large trace change predicted (1.59611e-09%)
linmin: converged after 5 iterations.
iteration 938: trace = 2.485865196800973 (1.59611e-09% change)
linmin: converged after 6 iterations.
iteration 939: trace = 2.485865196776445 (9.86678e-10% change)
linmin: converged after 4 iterations.
iteration 940: trace = 2.485865196763301 (5.28756e-10% change)
large trace change predicted (1.395e-09%)
linmin: converged after 21 iterations.
iteration 941: trace = 2.485865196728622 (1.39504e-09% change)
linmin: converged after 5 iterations.
iteration 942: trace = 2.485865196692836 (1.4396e-09% change)
linmin: converged after 9 iterations.
iteration 943: trace = 2.485865196678822 (5.63734e-10% change)
large trace change predicted (1.92272e-09%)
linmin: converged after 6 iterations.
iteration 944: trace = 2.485865196631027 (1.92266e-09% change)
linmin: converged after 3 iterations.
iteration 945: trace = 2.48586519659087 (1.61544e-09% change)
linmin: converged after 15 iterations.
iteration 946: trace = 2.485865196573469 (7.00005e-10% change)
linmin: converged after 5 iterations.
iteration 947: trace = 2.485865196541856 (1.27171e-09% change)
linmin: converged after 4 iterations.
iteration 948: trace = 2.485865196492666 (1.97879e-09% change)
linmin: converged after 5 iterations.
iteration 949: trace = 2.485865196483128 (3.8366e-10% change)
large trace change predicted (2.18476e-09%)
linmin: converged after 15 iterations.
iteration 950: trace = 2.485865196428817 (2.18482e-09% change)
linmin: converged after 11 iterations.
iteration 951: trace = 2.485865196387631 (1.65678e-09% change)
linmin: converged after 19 iterations.
iteration 952: trace = 2.485865196357544 (1.21036e-09% change)
linmin: converged after 16 iterations.
iteration 953: trace = 2.485865196334749 (9.16971e-10% change)
large trace change predicted (2.17164e-09%)
linmin: converged after 22 iterations.
iteration 954: trace = 2.485865196280763 (2.17172e-09% change)
linmin: converged after 13 iterations.
iteration 955: trace = 2.485865196250781 (1.20607e-09% change)
linmin: converged after 18 iterations.
iteration 956: trace = 2.485865196239367 (4.59173e-10% change)
large trace change predicted (1.57246e-09%)
linmin: converged after 22 iterations.
iteration 957: trace = 2.485865196200279 (1.5724e-09% change)
linmin: converged after 15 iterations.
iteration 958: trace = 2.485865196180975 (7.76537e-10% change)
linmin: converged after 5 iterations.
iteration 959: trace = 2.485865196166794 (5.70487e-10% change)
large trace change predicted (1.32415e-09%)
linmin: converged after 5 iterations.
iteration 960: trace = 2.48586519613388 (1.32403e-09% change)
linmin: converged after 10 iterations.
iteration 961: trace = 2.485865196123907 (4.01203e-10% change)
large trace change predicted (1.03782e-09%)
linmin: converged after 9 iterations.
iteration 962: trace = 2.485865196098107 (1.03786e-09% change)
linmin: converged after 4 iterations.
iteration 963: trace = 2.485865196065699 (1.3037e-09% change)
linmin: converged after 4 iterations.
iteration 964: trace = 2.485865196026463 (1.57834e-09% change)
linmin: converged after 4 iterations.
iteration 965: trace = 2.485865196003387 (9.28297e-10% change)
linmin: converged after 10 iterations.
iteration 966: trace = 2.485865195962528 (1.64367e-09% change)
linmin: converged after 18 iterations.
iteration 967: trace = 2.48586519593037 (1.29363e-09% change)
linmin: converged after 16 iterations.
iteration 968: trace = 2.485865195908953 (8.61537e-10% change)
linmin: converged after 13 iterations.
iteration 969: trace = 2.485865195894268 (5.90746e-10% change)
large trace change predicted (1.52047e-09%)
linmin: converged after 11 iterations.
iteration 970: trace = 2.485865195856473 (1.5204e-09% change)
linmin: converged after 11 iterations.
iteration 971: trace = 2.485865195837264 (7.7275e-10% change)
linmin: converged after 3 iterations.
iteration 972: trace = 2.485865195826727 (4.23855e-10% change)
large trace change predicted (1.22732e-09%)
linmin: converged after 27 iterations.
iteration 973: trace = 2.485865195796214 (1.22746e-09% change)
linmin: converged after 10 iterations.
iteration 974: trace = 2.485865195786945 (3.72869e-10% change)
large trace change predicted (8.918e-10%)
linmin: converged after 24 iterations.
iteration 975: trace = 2.485865195764775 (8.91835e-10% change)
linmin: converged after 9 iterations.
iteration 976: trace = 2.485865195744029 (8.34561e-10% change)
linmin: converged after 16 iterations.
iteration 977: trace = 2.485865195735534 (3.41749e-10% change)
large trace change predicted (1.63922e-09%)
linmin: converged after 2 iterations.
iteration 978: trace = 2.485865195694783 (1.63931e-09% change)
large trace change predicted (8.61993e-09%)
linmin: converged after 3 iterations.
iteration 979: trace = 2.485865195480502 (8.62e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 980: trace = 2.485865195380866 (4.0081e-09% change)
linmin: converged after 3 iterations.
iteration 981: trace = 2.485865195310908 (2.81422e-09% change)
linmin: converged after 4 iterations.
iteration 982: trace = 2.485865195298332 (5.05889e-10% change)
linmin: converged after 4 iterations.
iteration 983: trace = 2.485865195284529 (5.55285e-10% change)
linmin: converged after 6 iterations.
iteration 984: trace = 2.485865195271472 (5.25218e-10% change)
linmin: converged after 14 iterations.
iteration 985: trace = 2.485865195264631 (2.75222e-10% change)
linmin: converged after 6 iterations.
iteration 986: trace = 2.485865195255348 (3.73405e-10% change)
linmin: converged after 7 iterations.
iteration 987: trace = 2.485865195237387 (7.22533e-10% change)
linmin: converged after 3 iterations.
iteration 988: trace = 2.485865195233441 (1.58727e-10% change)
large trace change predicted (5.35532e-10%)
linmin: converged after 15 iterations.
iteration 989: trace = 2.485865195220129 (5.35526e-10% change)
linmin: converged after 15 iterations.
iteration 990: trace = 2.485865195207084 (5.24754e-10% change)
linmin: converged after 10 iterations.
iteration 991: trace = 2.485865195202752 (1.74269e-10% change)
large trace change predicted (6.40452e-10%)
linmin: converged after 15 iterations.
iteration 992: trace = 2.485865195186831 (6.40463e-10% change)
linmin: converged after 15 iterations.
iteration 993: trace = 2.485865195173564 (5.33722e-10% change)
linmin: converged after 6 iterations.
iteration 994: trace = 2.485865195164523 (3.63687e-10% change)
linmin: converged after 10 iterations.
iteration 995: trace = 2.485865195155359 (3.68635e-10% change)
linmin: converged after 22 iterations.
iteration 996: trace = 2.485865195137432 (7.21139e-10% change)
linmin: converged after 10 iterations.
iteration 997: trace = 2.485865195133312 (1.65765e-10% change)
large trace change predicted (5.98067e-10%)
linmin: converged after 21 iterations.
iteration 998: trace = 2.485865195118446 (5.97999e-10% change)
linmin: converged after 12 iterations.
iteration 999: trace = 2.485865195107226 (4.51348e-10% change)
linmin: converged after 3 iterations.
iteration 1000: trace = 2.485865195103003 (1.69892e-10% change)
large trace change predicted (3.59476e-10%)
linmin: converged after 16 iterations.
iteration 1001: trace = 2.485865195094067 (3.59489e-10% change)
linmin: converged after 3 iterations.
iteration 1002: trace = 2.485865195084453 (3.86714e-10% change)
linmin: converged after 4 iterations.
iteration 1003: trace = 2.485865195079111 (2.14911e-10% change)
linmin: converged after 5 iterations.
iteration 1004: trace = 2.485865195070572 (3.435e-10% change)
linmin: converged after 4 iterations.
iteration 1005: trace = 2.485865195059299 (4.53474e-10% change)
linmin: converged after 4 iterations.
iteration 1006: trace = 2.485865195048942 (4.16638e-10% change)
linmin: converged after 9 iterations.
iteration 1007: trace = 2.48586519504509 (1.54975e-10% change)
large trace change predicted (5.72838e-10%)
linmin: converged after 4 iterations.
iteration 1008: trace = 2.485865195030848 (5.72899e-10% change)
linmin: converged after 3 iterations.
iteration 1009: trace = 2.485865195025054 (2.33097e-10% change)
linmin: converged after 5 iterations.
iteration 1010: trace = 2.485865195018233 (2.744e-10% change)
linmin: converged after 8 iterations.
iteration 1011: trace = 2.485865195008758 (3.81141e-10% change)
linmin: converged after 4 iterations.
iteration 1012: trace = 2.485865194997796 (4.40987e-10% change)
linmin: converged after 4 iterations.
iteration 1013: trace = 2.485865194994954 (1.14333e-10% change)
large trace change predicted (4.19174e-10%)
linmin: converged after 7 iterations.
iteration 1014: trace = 2.485865194984537 (4.19049e-10% change)
linmin: converged after 6 iterations.
iteration 1015: trace = 2.485865194977043 (3.01429e-10% change)
linmin: converged after 4 iterations.
iteration 1016: trace = 2.485865194971785 (2.11534e-10% change)
linmin: converged after 3 iterations.
iteration 1017: trace = 2.485865194964899 (2.77008e-10% change)
linmin: converged after 4 iterations.
iteration 1018: trace = 2.485865194956525 (3.36854e-10% change)
linmin: converged after 6 iterations.
iteration 1019: trace = 2.485865194954441 (8.38206e-11% change)
Finished solving for bands 1 to 10 after 1019 iterations.
tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894
elapsed time for k point: 9.095575094223022
solve_kpoint (0.5,0.333333,0):
Solving for bands 1 to 10...
linmin: converged after 6 iterations.
iteration 1: trace = 2.624860657444398 (2.69642% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.610953324994328 (0.531239% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.601889621169397 (0.347745% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.600356646247478 (0.0589351% change)
large trace change predicted (0.133101%)
linmin: converged after 4 iterations.
iteration 5: trace = 2.596948849867374 (0.131137% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.596372064805613 (0.0222126% change)
linmin: converged after 3 iterations.
iteration 7: trace = 2.595542927897237 (0.0319395% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.595152374510337 (0.0150482% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.594847404885622 (0.0117522% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.594454447741832 (0.0151449% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.594326308669367 (0.00493908% change)
large trace change predicted (0.0216469%)
linmin: converged after 4 iterations.
iteration 12: trace = 2.593777335123011 (0.0211628% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.593512013071509 (0.0102297% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.593177865792837 (0.0128848% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.592759591436514 (0.0161311% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.592616495656834 (0.00551921% change)
large trace change predicted (0.023475%)
linmin: converged after 8 iterations.
iteration 17: trace = 2.592031022028394 (0.0225849% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.59183881548556 (0.00741556% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.591510395488983 (0.0126721% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.591143472008585 (0.0141597% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.591058362290834 (0.00328469% change)
large trace change predicted (0.0106647%)
linmin: converged after 4 iterations.
iteration 22: trace = 2.590787445825455 (0.0104564% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.590682179684191 (0.00406318% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.590536674665397 (0.00561663% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.590316049918632 (0.00851693% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.590262712828229 (0.00205912% change)
large trace change predicted (0.00488962%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.590136056658688 (0.00488982% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.590064081920008 (0.00277884% change)
linmin: converged after 3 iterations.
iteration 29: trace = 2.589966977982653 (0.00374916% change)
linmin: converged after 3 iterations.
iteration 30: trace = 2.589846952045266 (0.00463437% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.589779713799327 (0.00259626% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.589656148768881 (0.00477137% change)
linmin: converged after 3 iterations.
iteration 33: trace = 2.589592222492429 (0.00246855% change)
large trace change predicted (0.00587392%)
linmin: converged after 3 iterations.
iteration 34: trace = 2.58943868885607 (0.00592905% change)
linmin: converged after 3 iterations.
iteration 35: trace = 2.589299359937044 (0.00538081% change)
linmin: converged after 3 iterations.
iteration 36: trace = 2.589151546670612 (0.00570878% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.588877287495618 (0.0105932% change)
linmin: converged after 3 iterations.
iteration 38: trace = 2.588758826838513 (0.00457586% change)
large trace change predicted (0.0103829%)
linmin: converged after 3 iterations.
iteration 39: trace = 2.588487137598281 (0.0104955% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.588238477463922 (0.00960685% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.588129337514486 (0.00421685% change)
large trace change predicted (0.00966144%)
linmin: converged after 3 iterations.
iteration 42: trace = 2.587877763590856 (0.00972077% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.587755089809354 (0.00474044% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.587559763088374 (0.0075484% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.587201412270447 (0.0138499% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.587078625716444 (0.00474603% change)
large trace change predicted (0.0134465%)
linmin: converged after 3 iterations.
iteration 47: trace = 2.586730779580112 (0.0134464% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.586416677216178 (0.0121436% change)
linmin: converged after 4 iterations.
iteration 49: trace = 2.586172564541082 (0.0094387% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.585801897293217 (0.0143337% change)
linmin: converged after 3 iterations.
iteration 51: trace = 2.585704546876046 (0.00376488% change)
large trace change predicted (0.00796064%)
linmin: converged after 4 iterations.
iteration 52: trace = 2.585499754810095 (0.00792048% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.585309102943152 (0.00737416% change)
linmin: converged after 4 iterations.
iteration 54: trace = 2.585225653328603 (0.00322789% change)
large trace change predicted (0.00857994%)
linmin: converged after 4 iterations.
iteration 55: trace = 2.58500537722372 (0.00852094% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.584916458740381 (0.00343984% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.584748111302744 (0.0065129% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.584504284515206 (0.00943374% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.584418705703339 (0.00331128% change)
large trace change predicted (0.00842828%)
linmin: converged after 4 iterations.
iteration 60: trace = 2.584201815731018 (0.00839257% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.584099141053601 (0.00397325% change)
linmin: converged after 3 iterations.
iteration 62: trace = 2.583934358439061 (0.00637699% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.583709117768531 (0.00871735% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.583615279669869 (0.00363198% change)
large trace change predicted (0.00904956%)
linmin: converged after 4 iterations.
iteration 65: trace = 2.583383030980548 (0.00898969% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.583261867954656 (0.0046902% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.583112554586477 (0.0057802% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.582958454725462 (0.00596584% change)
linmin: converged after 6 iterations.
iteration 69: trace = 2.582869898246245 (0.00342855% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.582791283889869 (0.00304373% change)
linmin: converged after 5 iterations.
iteration 71: trace = 2.582689744209822 (0.00393147% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.582487344019194 (0.00783711% change)
linmin: converged after 4 iterations.
iteration 73: trace = 2.582430457572128 (0.0022028% change)
large trace change predicted (0.00655094%)
linmin: converged after 3 iterations.
iteration 74: trace = 2.582260887881654 (0.0065665% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.582142980085108 (0.00456617% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.582089125320038 (0.00208568% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.58198944932938 (0.00386036% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.58194945116086 (0.00154913% change)
linmin: converged after 3 iterations.
iteration 79: trace = 2.581896477308379 (0.00205172% change)
linmin: converged after 3 iterations.
iteration 80: trace = 2.581814650966695 (0.00316928% change)
linmin: converged after 4 iterations.
iteration 81: trace = 2.581795133875173 (0.000755948% change)
large trace change predicted (0.00246214%)
linmin: converged after 3 iterations.
iteration 82: trace = 2.581731398762597 (0.00246867% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.58167987346304 (0.00199579% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.581660431325718 (0.000753084% change)
large trace change predicted (0.0022678%)
linmin: converged after 3 iterations.
iteration 85: trace = 2.581601750028335 (0.00227303% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.581512409884697 (0.00346071% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.581471275825583 (0.00159342% change)
large trace change predicted (0.00460164%)
linmin: converged after 3 iterations.
iteration 88: trace = 2.581352182994358 (0.00461348% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.581296892688224 (0.00214194% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.581194672433724 (0.00396011% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.581064534121345 (0.00504191% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.58103879067474 (0.000997401% change)
large trace change predicted (0.00403908%)
linmin: converged after 16 iterations.
iteration 93: trace = 2.580934670132716 (0.00403414% change)
linmin: converged after 5 iterations.
iteration 94: trace = 2.580892543647282 (0.00163223% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.580844807207762 (0.00184963% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.580750264376087 (0.00366332% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.580717916046825 (0.00125345% change)
large trace change predicted (0.00303787%)
linmin: converged after 6 iterations.
iteration 98: trace = 2.58063969606942 (0.00303098% change)
linmin: converged after 4 iterations.
iteration 99: trace = 2.580586921966533 (0.00204502% change)
linmin: converged after 4 iterations.
iteration 100: trace = 2.580568719281255 (0.000705372% change)
large trace change predicted (0.00145523%)
linmin: converged after 4 iterations.
iteration 101: trace = 2.580531234955007 (0.00145257% change)
linmin: converged after 20 iterations.
iteration 102: trace = 2.580515873601728 (0.00059528% change)
linmin: converged after 4 iterations.
iteration 103: trace = 2.580499665390553 (0.000628102% change)
linmin: converged after 7 iterations.
iteration 104: trace = 2.5804738941213 (0.000998698% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.580463088660485 (0.00041874% change)
large trace change predicted (0.00115897%)
linmin: converged after 4 iterations.
iteration 106: trace = 2.580433222769202 (0.00115739% change)
linmin: converged after 6 iterations.
iteration 107: trace = 2.580404878630592 (0.00109843% change)
linmin: converged after 3 iterations.
iteration 108: trace = 2.580391255549352 (0.000527945% change)
large trace change predicted (0.00162418%)
linmin: converged after 5 iterations.
iteration 109: trace = 2.580349416150665 (0.00162145% change)
linmin: converged after 6 iterations.
iteration 110: trace = 2.580298851149196 (0.00195964% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.580288563859734 (0.000398687% change)
large trace change predicted (0.00143959%)
linmin: converged after 5 iterations.
iteration 112: trace = 2.580251458649525 (0.00143804% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.580236913294601 (0.00056372% change)
linmin: converged after 4 iterations.
iteration 114: trace = 2.58021013568223 (0.0010378% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.580157606216286 (0.00203588% change)
linmin: converged after 4 iterations.
iteration 116: trace = 2.580144732078875 (0.000498968% change)
large trace change predicted (0.00229942%)
linmin: converged after 3 iterations.
iteration 117: trace = 2.580085343526398 (0.00230178% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.580043142878056 (0.00163564% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.580026198424646 (0.000656753% change)
large trace change predicted (0.00241367%)
linmin: converged after 3 iterations.
iteration 120: trace = 2.579963831871476 (0.00241731% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.579916529139641 (0.00183348% change)
linmin: converged after 3 iterations.
iteration 122: trace = 2.579904068728688 (0.000482978% change)
large trace change predicted (0.00145144%)
linmin: converged after 3 iterations.
iteration 123: trace = 2.579866580502305 (0.0014531% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.57984755203891 (0.000737578% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.57981631925165 (0.00121065% change)
linmin: converged after 4 iterations.
iteration 126: trace = 2.579774460755521 (0.00162255% change)
linmin: converged after 3 iterations.
iteration 127: trace = 2.579757160004375 (0.000670633% change)
large trace change predicted (0.00192692%)
linmin: converged after 3 iterations.
iteration 128: trace = 2.579707451549806 (0.00192688% change)
linmin: converged after 4 iterations.
iteration 129: trace = 2.579655882173126 (0.00199906% change)
linmin: converged after 5 iterations.
iteration 130: trace = 2.579638097400106 (0.000689427% change)
large trace change predicted (0.00175717%)
linmin: converged after 4 iterations.
iteration 131: trace = 2.579592848580715 (0.00175409% change)
linmin: converged after 4 iterations.
iteration 132: trace = 2.579574042794405 (0.000729024% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.579568060257632 (0.00023192% change)
large trace change predicted (0.00172045%)
linmin: converged after 3 iterations.
iteration 134: trace = 2.579523651934156 (0.00172156% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.579512030876582 (0.000450513% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.579493212543738 (0.000729533% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.579467290316428 (0.00100494% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.57945943003668 (0.000304725% change)
large trace change predicted (0.00115311%)
linmin: converged after 4 iterations.
iteration 139: trace = 2.57942970403997 (0.00115242% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.57941531781194 (0.000557731% change)
linmin: converged after 4 iterations.
iteration 141: trace = 2.579409085611241 (0.000241613% change)
large trace change predicted (0.000491984%)
linmin: converged after 7 iterations.
iteration 142: trace = 2.57939639909439 (0.000491839% change)
linmin: converged after 8 iterations.
iteration 143: trace = 2.579388279752569 (0.000314777% change)
linmin: converged after 3 iterations.
iteration 144: trace = 2.579378552243709 (0.000377125% change)
linmin: converged after 6 iterations.
iteration 145: trace = 2.579359280246058 (0.000747159% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.579354515401984 (0.00018473% change)
large trace change predicted (0.000506411%)
linmin: converged after 8 iterations.
iteration 147: trace = 2.579341463515056 (0.000506015% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.579328541119657 (0.000500997% change)
linmin: converged after 4 iterations.
iteration 149: trace = 2.57932162514439 (0.000268131% change)
large trace change predicted (0.000612082%)
linmin: converged after 3 iterations.
iteration 150: trace = 2.579305838842733 (0.000612035% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.579296842491273 (0.00034879% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.579281595299001 (0.000591139% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.579262706042798 (0.000732348% change)
linmin: converged after 4 iterations.
iteration 154: trace = 2.579256466669243 (0.000241906% change)
linmin: converged after 3 iterations.
iteration 155: trace = 2.579244843842047 (0.000450628% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.579229499928375 (0.000594901% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.579225833301723 (0.00014216% change)
large trace change predicted (0.000598052%)
linmin: converged after 3 iterations.
iteration 158: trace = 2.579210415829566 (0.000597758% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.579202872192492 (0.000292479% change)
linmin: converged after 4 iterations.
iteration 160: trace = 2.579194300329114 (0.000332346% change)
linmin: converged after 3 iterations.
iteration 161: trace = 2.579183234090278 (0.000429059% change)
linmin: converged after 4 iterations.
iteration 162: trace = 2.579177076317421 (0.000238749% change)
linmin: converged after 6 iterations.
iteration 163: trace = 2.579166583113692 (0.000406844% change)
linmin: converged after 4 iterations.
iteration 164: trace = 2.579150734762379 (0.000614478% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.579146892212581 (0.000148985% change)
linmin: converged after 4 iterations.
iteration 166: trace = 2.57913979939759 (0.000275007% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.579132919663073 (0.000266746% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.579130516362208 (9.31826e-05% change)
large trace change predicted (0.000322816%)
linmin: converged after 4 iterations.
iteration 169: trace = 2.579122187050981 (0.000322951% change)
linmin: converged after 3 iterations.
iteration 170: trace = 2.579118803416007 (0.000131193% change)
linmin: converged after 5 iterations.
iteration 171: trace = 2.579114488093516 (0.000167318% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.579109064924683 (0.000210273% change)
linmin: converged after 3 iterations.
iteration 173: trace = 2.579106377122808 (0.000104214% change)
linmin: converged after 10 iterations.
iteration 174: trace = 2.579102879185829 (0.000135626% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.579097659114828 (0.000202399% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.579096401364937 (4.87671e-05% change)
large trace change predicted (0.000221842%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.579090674800652 (0.000222038% change)
linmin: converged after 5 iterations.
iteration 178: trace = 2.57908711058793 (0.000138197% change)
linmin: converged after 4 iterations.
iteration 179: trace = 2.579085264975734 (7.15607e-05% change)
large trace change predicted (0.0002399%)
linmin: converged after 3 iterations.
iteration 180: trace = 2.579079074886856 (0.000240011% change)
linmin: converged after 4 iterations.
iteration 181: trace = 2.579076160976077 (0.000112983% change)
linmin: converged after 3 iterations.
iteration 182: trace = 2.579070757367755 (0.000209517% change)
linmin: converged after 5 iterations.
iteration 183: trace = 2.579062133148039 (0.000334393% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.579059574506094 (9.92083e-05% change)
large trace change predicted (0.000233903%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.579053541116616 (0.000233938% change)
linmin: converged after 3 iterations.
iteration 186: trace = 2.579045849975904 (0.000298216% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.579042501920684 (0.000129818% change)
large trace change predicted (0.000302901%)
linmin: converged after 5 iterations.
iteration 188: trace = 2.579034692894698 (0.000302788% change)
linmin: converged after 6 iterations.
iteration 189: trace = 2.57903160921061 (0.000119567% change)
linmin: converged after 4 iterations.
iteration 190: trace = 2.579028621117473 (0.000115861% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.579022655294933 (0.000231321% change)
linmin: converged after 13 iterations.
iteration 192: trace = 2.579020981637274 (6.48951e-05% change)
large trace change predicted (0.000179232%)
linmin: converged after 18 iterations.
iteration 193: trace = 2.579016363199398 (0.000179077% change)
linmin: converged after 4 iterations.
iteration 194: trace = 2.579010486487007 (0.000227867% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.579008983950309 (5.82602e-05% change)
large trace change predicted (0.000143654%)
linmin: converged after 14 iterations.
iteration 196: trace = 2.57900528157252 (0.000143558% change)
linmin: converged after 4 iterations.
iteration 197: trace = 2.579001661777413 (0.000140356% change)
linmin: converged after 5 iterations.
iteration 198: trace = 2.579000216716951 (5.60318e-05% change)
large trace change predicted (0.000143719%)
linmin: converged after 12 iterations.
iteration 199: trace = 2.578996512510935 (0.00014363% change)
linmin: converged after 8 iterations.
iteration 200: trace = 2.578994965206936 (5.99964e-05% change)
large trace change predicted (0.000123383%)
linmin: converged after 4 iterations.
iteration 201: trace = 2.578991784702916 (0.000123323% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.578988673799553 (0.000120625% change)
linmin: converged after 4 iterations.
iteration 203: trace = 2.578987041775699 (6.32816e-05% change)
linmin: converged after 3 iterations.
iteration 204: trace = 2.578984245324334 (0.000108432% change)
linmin: converged after 4 iterations.
iteration 205: trace = 2.578979948552923 (0.000166607% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.578978759476258 (4.61065e-05% change)
large trace change predicted (0.000159393%)
linmin: converged after 4 iterations.
iteration 207: trace = 2.578974647851428 (0.000159429% change)
linmin: converged after 3 iterations.
iteration 208: trace = 2.578972419690169 (8.63972e-05% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.578970571015978 (7.16826e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 210: trace = 2.57896902314753 (6.00189e-05% change)
linmin: converged after 2 iterations.
iteration 211: trace = 2.578967699428833 (5.13275e-05% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.578965531619185 (8.40573e-05% change)
linmin: converged after 9 iterations.
iteration 213: trace = 2.578964903233052 (2.43658e-05% change)
large trace change predicted (8.68719e-05%)
linmin: converged after 3 iterations.
iteration 214: trace = 2.578962661795469 (8.69123e-05% change)
linmin: converged after 4 iterations.
iteration 215: trace = 2.578960794964922 (7.23869e-05% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.578959973956169 (3.18349e-05% change)
large trace change predicted (7.41753e-05%)
linmin: converged after 3 iterations.
iteration 217: trace = 2.57895806063757 (7.41896e-05% change)
linmin: converged after 5 iterations.
iteration 218: trace = 2.578956698729991 (5.28085e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.578955032234949 (6.4619e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.578953249304644 (6.91339e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.578952763190909 (1.88493e-05% change)
large trace change predicted (5.94239e-05%)
linmin: converged after 5 iterations.
iteration 222: trace = 2.578951230285838 (5.94391e-05% change)
linmin: converged after 3 iterations.
iteration 223: trace = 2.5789495749286 (6.41872e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 2.578948997883961 (2.23752e-05% change)
large trace change predicted (7.62976e-05%)
linmin: converged after 4 iterations.
iteration 225: trace = 2.578947029685699 (7.63179e-05% change)
linmin: converged after 4 iterations.
iteration 226: trace = 2.578944779675347 (8.72453e-05% change)
linmin: converged after 3 iterations.
iteration 227: trace = 2.578944139618348 (2.48186e-05% change)
large trace change predicted (0.000104966%)
linmin: converged after 4 iterations.
iteration 228: trace = 2.57894143165448 (0.000105003% change)
linmin: converged after 3 iterations.
iteration 229: trace = 2.578940084552484 (5.22347e-05% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.578938669210328 (5.48808e-05% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.578936271851268 (9.29592e-05% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.578935689729847 (2.25722e-05% change)
large trace change predicted (8.28239e-05%)
linmin: converged after 2 iterations.
iteration 233: trace = 2.578933553755356 (8.28239e-05% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.578932277588847 (4.94843e-05% change)
linmin: converged after 5 iterations.
iteration 235: trace = 2.578931558308749 (2.78906e-05% change)
large trace change predicted (6.9119e-05%)
linmin: converged after 3 iterations.
iteration 236: trace = 2.578929775938617 (6.91128e-05% change)
linmin: converged after 7 iterations.
iteration 237: trace = 2.578927681915258 (8.11974e-05% change)
linmin: converged after 2 iterations.
iteration 238: trace = 2.578927307360245 (1.45237e-05% change)
large trace change predicted (7.6634e-05%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.578925332207012 (7.65882e-05% change)
linmin: converged after 2 iterations.
iteration 240: trace = 2.578924470717827 (3.3405e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.578923849846243 (2.40748e-05% change)
large trace change predicted (4.95985e-05%)
linmin: converged after 3 iterations.
iteration 242: trace = 2.57892257127596 (4.95777e-05% change)
linmin: converged after 7 iterations.
iteration 243: trace = 2.578922283815265 (1.11465e-05% change)
large trace change predicted (3.21426e-05%)
linmin: converged after 5 iterations.
iteration 244: trace = 2.578921455034727 (3.21367e-05% change)
linmin: converged after 3 iterations.
iteration 245: trace = 2.578920602831324 (3.3045e-05% change)
linmin: converged after 2 iterations.
iteration 246: trace = 2.578920339575498 (1.0208e-05% change)
large trace change predicted (3.17353e-05%)
linmin: converged after 5 iterations.
iteration 247: trace = 2.578919521243326 (3.17316e-05% change)
linmin: converged after 3 iterations.
iteration 248: trace = 2.578918601641423 (3.56584e-05% change)
linmin: converged after 2 iterations.
iteration 249: trace = 2.578918151881921 (1.74399e-05% change)
large trace change predicted (5.12963e-05%)
linmin: converged after 3 iterations.
iteration 250: trace = 2.578916829132448 (5.12909e-05% change)
linmin: converged after 3 iterations.
iteration 251: trace = 2.578916299272354 (2.05458e-05% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.57891562054581 (2.63183e-05% change)
linmin: converged after 5 iterations.
iteration 253: trace = 2.578914731096893 (3.44893e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.578913679451401 (4.07786e-05% change)
linmin: converged after 4 iterations.
iteration 255: trace = 2.578913266686216 (1.60054e-05% change)
large trace change predicted (5.40277e-05%)
linmin: converged after 3 iterations.
iteration 256: trace = 2.578911873026465 (5.40406e-05% change)
linmin: converged after 4 iterations.
iteration 257: trace = 2.578911480189724 (1.52327e-05% change)
large trace change predicted (3.39854e-05%)
linmin: converged after 3 iterations.
iteration 258: trace = 2.578910603653624 (3.39886e-05% change)
linmin: converged after 3 iterations.
iteration 259: trace = 2.578909348090638 (4.86858e-05% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.578909011721332 (1.30431e-05% change)
large trace change predicted (6.38916e-05%)
linmin: converged after 4 iterations.
iteration 261: trace = 2.578907363961063 (6.38937e-05% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.578906388890173 (3.78095e-05% change)
linmin: converged after 4 iterations.
iteration 263: trace = 2.578905971315756 (1.61919e-05% change)
large trace change predicted (3.76844e-05%)
linmin: converged after 4 iterations.
iteration 264: trace = 2.578904999335657 (3.76896e-05% change)
linmin: converged after 3 iterations.
iteration 265: trace = 2.578904108376322 (3.4548e-05% change)
linmin: converged after 3 iterations.
iteration 266: trace = 2.578903851990263 (9.94167e-06% change)
large trace change predicted (4.4242e-05%)
linmin: converged after 5 iterations.
iteration 267: trace = 2.578902711252484 (4.42334e-05% change)
linmin: converged after 4 iterations.
iteration 268: trace = 2.578902248812526 (1.79317e-05% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.578901705804483 (2.10558e-05% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.578900843404065 (3.34406e-05% change)
linmin: converged after 7 iterations.
iteration 271: trace = 2.578900645666602 (7.66751e-06% change)
large trace change predicted (2.45719e-05%)
linmin: converged after 8 iterations.
iteration 272: trace = 2.578900011973643 (2.45722e-05% change)
linmin: converged after 4 iterations.
iteration 273: trace = 2.578899334407352 (2.62735e-05% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.578899123706742 (8.17018e-06% change)
large trace change predicted (2.61149e-05%)
linmin: converged after 3 iterations.
iteration 275: trace = 2.578898450209252 (2.61157e-05% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.578898213822447 (9.16619e-06% change)
linmin: converged after 14 iterations.
iteration 277: trace = 2.578897848535566 (1.41645e-05% change)
linmin: converged after 4 iterations.
iteration 278: trace = 2.578897259488174 (2.28411e-05% change)
linmin: converged after 4 iterations.
iteration 279: trace = 2.578896697811086 (2.17797e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.578896241973919 (1.76757e-05% change)
linmin: converged after 4 iterations.
iteration 281: trace = 2.578895843061092 (1.54684e-05% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.578895612515214 (8.93971e-06% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.57889544199031 (6.61232e-06% change)
large trace change predicted (1.71937e-05%)
linmin: converged after 4 iterations.
iteration 284: trace = 2.578894998612311 (1.71926e-05% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.57889486052752 (5.35442e-06% change)
large trace change predicted (1.5317e-05%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.57889446553857 (1.53162e-05% change)
linmin: converged after 3 iterations.
iteration 287: trace = 2.578894068100964 (1.54112e-05% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.578893959325635 (4.21791e-06% change)
large trace change predicted (1.5865e-05%)
linmin: converged after 3 iterations.
iteration 289: trace = 2.578893550266271 (1.58618e-05% change)
linmin: converged after 4 iterations.
iteration 290: trace = 2.578893308053489 (9.39212e-06% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.578893087859599 (8.53831e-06% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.578892655646249 (1.67596e-05% change)
linmin: converged after 3 iterations.
iteration 293: trace = 2.578892511129264 (5.60384e-06% change)
large trace change predicted (1.17002e-05%)
linmin: converged after 4 iterations.
iteration 294: trace = 2.578892209452875 (1.16979e-05% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.578891800121638 (1.58724e-05% change)
linmin: converged after 3 iterations.
iteration 296: trace = 2.57889160628186 (7.5164e-06% change)
linmin: converged after 5 iterations.
iteration 297: trace = 2.578891228850099 (1.46354e-05% change)
linmin: converged after 13 iterations.
iteration 298: trace = 2.578890717163789 (1.98413e-05% change)
linmin: converged after 2 iterations.
iteration 299: trace = 2.578890539719477 (6.88065e-06% change)
linmin: converged after 4 iterations.
iteration 300: trace = 2.578890290483081 (9.66448e-06% change)
linmin: converged after 3 iterations.
iteration 301: trace = 2.578889961525526 (1.27558e-05% change)
linmin: converged after 4 iterations.
iteration 302: trace = 2.578889887795748 (2.85897e-06% change)
large trace change predicted (1.27063e-05%)
linmin: converged after 3 iterations.
iteration 303: trace = 2.578889560151664 (1.27049e-05% change)
linmin: converged after 3 iterations.
iteration 304: trace = 2.578889337352475 (8.63935e-06% change)
linmin: converged after 2 iterations.
iteration 305: trace = 2.578889244576347 (3.59752e-06% change)
large trace change predicted (9.01151e-06%)
linmin: converged after 4 iterations.
iteration 306: trace = 2.578889012208811 (9.01037e-06% change)
linmin: converged after 2 iterations.
iteration 307: trace = 2.578888788603815 (8.67059e-06% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.578888709944779 (3.05011e-06% change)
large trace change predicted (1.0041e-05%)
linmin: converged after 3 iterations.
iteration 309: trace = 2.578888450987346 (1.00414e-05% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.578888326266121 (4.83624e-06% change)
linmin: converged after 2 iterations.
iteration 311: trace = 2.578888201279482 (4.84653e-06% change)
linmin: converged after 3 iterations.
iteration 312: trace = 2.578888028533574 (6.69846e-06% change)
linmin: converged after 4 iterations.
iteration 313: trace = 2.578887961707215 (2.59129e-06% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.57888784886548 (4.3756e-06% change)
linmin: converged after 4 iterations.
iteration 315: trace = 2.578887685046229 (6.35232e-06% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.578887643012387 (1.62992e-06% change)
large trace change predicted (6.51603e-06%)
linmin: converged after 5 iterations.
iteration 317: trace = 2.578887474954171 (6.51669e-06% change)
linmin: converged after 4 iterations.
iteration 318: trace = 2.578887311670011 (6.33157e-06% change)
linmin: converged after 10 iterations.
iteration 319: trace = 2.57888724960782 (2.40655e-06% change)
large trace change predicted (1.01267e-05%)
linmin: converged after 3 iterations.
iteration 320: trace = 2.578886988427016 (1.01277e-05% change)
linmin: converged after 3 iterations.
iteration 321: trace = 2.578886935954951 (2.03468e-06% change)
large trace change predicted (7.67331e-06%)
linmin: converged after 3 iterations.
iteration 322: trace = 2.578886738058058 (7.67373e-06% change)
linmin: converged after 2 iterations.
iteration 323: trace = 2.578886588366594 (5.8045e-06% change)
linmin: converged after 3 iterations.
iteration 324: trace = 2.578886529103038 (2.29803e-06% change)
large trace change predicted (6.21405e-06%)
linmin: converged after 5 iterations.
iteration 325: trace = 2.578886368852701 (6.21394e-06% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.578886158990578 (8.1377e-06% change)
linmin: converged after 3 iterations.
iteration 327: trace = 2.578886035712026 (4.7803e-06% change)
linmin: converged after 4 iterations.
iteration 328: trace = 2.578885939372719 (3.73569e-06% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.578885788817776 (5.83798e-06% change)
linmin: converged after 3 iterations.
iteration 330: trace = 2.578885732387192 (2.18818e-06% change)
large trace change predicted (6.23893e-06%)
linmin: converged after 4 iterations.
iteration 331: trace = 2.578885571515369 (6.23804e-06% change)
linmin: converged after 3 iterations.
iteration 332: trace = 2.578885448289417 (4.77826e-06% change)
linmin: converged after 5 iterations.
iteration 333: trace = 2.578885392876492 (2.14872e-06% change)
large trace change predicted (5.54789e-06%)
linmin: converged after 11 iterations.
iteration 334: trace = 2.578885249821361 (5.54717e-06% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.578885206103884 (1.69521e-06% change)
linmin: converged after 4 iterations.
iteration 336: trace = 2.578885136710719 (2.69082e-06% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.578885050046726 (3.36052e-06% change)
linmin: converged after 5 iterations.
iteration 338: trace = 2.578884959998245 (3.49176e-06% change)
linmin: converged after 7 iterations.
iteration 339: trace = 2.578884938076271 (8.50056e-07% change)
large trace change predicted (4.49268e-06%)
linmin: converged after 5 iterations.
iteration 340: trace = 2.57888482222907 (4.49214e-06% change)
linmin: converged after 3 iterations.
iteration 341: trace = 2.578884771013445 (1.98596e-06% change)
linmin: converged after 8 iterations.
iteration 342: trace = 2.578884704013924 (2.598e-06% change)
linmin: converged after 3 iterations.
iteration 343: trace = 2.578884608043694 (3.72139e-06% change)
linmin: converged after 3 iterations.
iteration 344: trace = 2.578884568228974 (1.54387e-06% change)
large trace change predicted (3.5061e-06%)
linmin: converged after 3 iterations.
iteration 345: trace = 2.578884477813926 (3.50598e-06% change)
linmin: converged after 32 iterations.
iteration 346: trace = 2.57888440816081 (2.7009e-06% change)
linmin: converged after 3 iterations.
iteration 347: trace = 2.578884377325902 (1.19567e-06% change)
large trace change predicted (2.95992e-06%)
linmin: converged after 2 iterations.
iteration 348: trace = 2.578884300992386 (2.95994e-06% change)
linmin: converged after 4 iterations.
iteration 349: trace = 2.578884199370362 (3.94054e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.578884116659355 (3.20724e-06% change)
linmin: converged after 15 iterations.
iteration 351: trace = 2.578884058645616 (2.24957e-06% change)
linmin: converged after 2 iterations.
iteration 352: trace = 2.578884036464944 (8.60088e-07% change)
large trace change predicted (2.03024e-06%)
linmin: converged after 17 iterations.
iteration 353: trace = 2.578883984105725 (2.03031e-06% change)
linmin: converged after 2 iterations.
iteration 354: trace = 2.578883927608765 (2.19075e-06% change)
linmin: converged after 5 iterations.
iteration 355: trace = 2.57888390014904 (1.06479e-06% change)
large trace change predicted (2.37462e-06%)
linmin: converged after 3 iterations.
iteration 356: trace = 2.578883838906447 (2.37477e-06% change)
linmin: converged after 2 iterations.
iteration 357: trace = 2.5788837970657 (1.62244e-06% change)
linmin: converged after 30 iterations.
iteration 358: trace = 2.57888376807427 (1.12419e-06% change)
linmin: converged after 3 iterations.
iteration 359: trace = 2.578883713670522 (2.10959e-06% change)
linmin: converged after 3 iterations.
iteration 360: trace = 2.578883701399795 (4.75815e-07% change)
large trace change predicted (1.552e-06%)
linmin: converged after 3 iterations.
iteration 361: trace = 2.578883661374154 (1.55205e-06% change)
linmin: converged after 2 iterations.
iteration 362: trace = 2.578883615165985 (1.79179e-06% change)
linmin: converged after 2 iterations.
iteration 363: trace = 2.578883599986654 (5.88601e-07% change)
large trace change predicted (1.47467e-06%)
linmin: converged after 21 iterations.
iteration 364: trace = 2.578883561955101 (1.47473e-06% change)
linmin: converged after 3 iterations.
iteration 365: trace = 2.578883499786162 (2.41069e-06% change)
linmin: converged after 6 iterations.
iteration 366: trace = 2.578883473259338 (1.02862e-06% change)
large trace change predicted (2.16324e-06%)
linmin: converged after 3 iterations.
iteration 367: trace = 2.57888341746973 (2.16332e-06% change)
linmin: converged after 12 iterations.
iteration 368: trace = 2.578883362803683 (2.11976e-06% change)
linmin: converged after 3 iterations.
iteration 369: trace = 2.578883331312625 (1.22111e-06% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.578883278096646 (2.06353e-06% change)
linmin: converged after 2 iterations.
iteration 371: trace = 2.578883232301224 (1.77579e-06% change)
linmin: converged after 4 iterations.
iteration 372: trace = 2.578883193866086 (1.49038e-06% change)
linmin: converged after 3 iterations.
iteration 373: trace = 2.578883128458537 (2.53627e-06% change)
linmin: converged after 6 iterations.
iteration 374: trace = 2.578883113782989 (5.69066e-07% change)
large trace change predicted (1.66165e-06%)
linmin: converged after 5 iterations.
iteration 375: trace = 2.578883070932626 (1.66159e-06% change)
linmin: converged after 11 iterations.
iteration 376: trace = 2.578883018716562 (2.02476e-06% change)
linmin: converged after 6 iterations.
iteration 377: trace = 2.578882970182465 (1.88198e-06% change)
linmin: converged after 9 iterations.
iteration 378: trace = 2.578882952350625 (6.91456e-07% change)
large trace change predicted (2.05739e-06%)
linmin: converged after 3 iterations.
iteration 379: trace = 2.578882899296014 (2.05727e-06% change)
linmin: converged after 10 iterations.
iteration 380: trace = 2.578882881506566 (6.89812e-07% change)
linmin: converged after 4 iterations.
iteration 381: trace = 2.578882853475612 (1.08694e-06% change)
linmin: converged after 27 iterations.
iteration 382: trace = 2.578882815943033 (1.45538e-06% change)
linmin: converged after 5 iterations.
iteration 383: trace = 2.578882806889427 (3.51067e-07% change)
large trace change predicted (1.06703e-06%)
linmin: converged after 4 iterations.
iteration 384: trace = 2.578882779372916 (1.06699e-06% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.578882755527427 (9.24644e-07% change)
linmin: converged after 3 iterations.
iteration 386: trace = 2.578882744525212 (4.26627e-07% change)
large trace change predicted (1.01891e-06%)
linmin: converged after 3 iterations.
iteration 387: trace = 2.578882718249225 (1.01889e-06% change)
linmin: converged after 2 iterations.
iteration 388: trace = 2.578882703063015 (5.88868e-07% change)
linmin: converged after 4 iterations.
iteration 389: trace = 2.578882679998177 (8.94373e-07% change)
linmin: converged after 17 iterations.
iteration 390: trace = 2.578882640629375 (1.52658e-06% change)
linmin: converged after 4 iterations.
iteration 391: trace = 2.578882633940746 (2.59362e-07% change)
large trace change predicted (1.42673e-06%)
linmin: converged after 4 iterations.
iteration 392: trace = 2.578882597146995 (1.42673e-06% change)
linmin: converged after 2 iterations.
iteration 393: trace = 2.578882569518502 (1.07134e-06% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.578882553965367 (6.03096e-07% change)
linmin: converged after 2 iterations.
iteration 395: trace = 2.578882530776598 (8.99179e-07% change)
linmin: converged after 5 iterations.
iteration 396: trace = 2.578882500050447 (1.19145e-06% change)
linmin: converged after 6 iterations.
iteration 397: trace = 2.578882489042851 (4.26836e-07% change)
large trace change predicted (1.115e-06%)
linmin: converged after 3 iterations.
iteration 398: trace = 2.578882460288019 (1.11501e-06% change)
linmin: converged after 2 iterations.
iteration 399: trace = 2.578882432897072 (1.06212e-06% change)
linmin: converged after 4 iterations.
iteration 400: trace = 2.578882421877958 (4.27283e-07% change)
large trace change predicted (1.64314e-06%)
linmin: converged after 2 iterations.
iteration 401: trace = 2.578882379502339 (1.64318e-06% change)
linmin: converged after 3 iterations.
iteration 402: trace = 2.578882367864802 (4.51263e-07% change)
large trace change predicted (1.12085e-06%)
linmin: converged after 8 iterations.
iteration 403: trace = 2.578882338957688 (1.12092e-06% change)
linmin: converged after 5 iterations.
iteration 404: trace = 2.578882310266573 (1.11254e-06% change)
linmin: converged after 2 iterations.
iteration 405: trace = 2.578882300352086 (3.84449e-07% change)
linmin: converged after 2 iterations.
iteration 406: trace = 2.578882283079114 (6.69785e-07% change)
linmin: converged after 3 iterations.
iteration 407: trace = 2.578882259177726 (9.26812e-07% change)
linmin: converged after 5 iterations.
iteration 408: trace = 2.578882247956715 (4.35111e-07% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.57888223444814 (5.23815e-07% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.578882212189181 (8.63124e-07% change)
linmin: converged after 12 iterations.
iteration 411: trace = 2.578882206515553 (2.20003e-07% change)
large trace change predicted (6.59205e-07%)
linmin: converged after 2 iterations.
iteration 412: trace = 2.578882189515412 (6.59206e-07% change)
linmin: converged after 16 iterations.
iteration 413: trace = 2.578882167133094 (8.67908e-07% change)
linmin: converged after 20 iterations.
iteration 414: trace = 2.578882162543898 (1.77953e-07% change)
large trace change predicted (7.20905e-07%)
linmin: converged after 13 iterations.
iteration 415: trace = 2.578882143952733 (7.209e-07% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.578882138199545 (2.23088e-07% change)
linmin: converged after 2 iterations.
iteration 417: trace = 2.578882128500576 (3.76092e-07% change)
linmin: converged after 2 iterations.
iteration 418: trace = 2.578882115845795 (4.90708e-07% change)
linmin: converged after 20 iterations.
iteration 419: trace = 2.57888211063133 (2.02199e-07% change)
resetting CG direction...
linmin: converged after 16 iterations.
iteration 420: trace = 2.578882105624677 (1.9414e-07% change)
large trace change predicted (4.22431e-07%)
linmin: converged after 3 iterations.
iteration 421: trace = 2.578882094730754 (4.22428e-07% change)
linmin: converged after 3 iterations.
iteration 422: trace = 2.57888208676304 (3.0896e-07% change)
linmin: converged after 9 iterations.
iteration 423: trace = 2.578882082194057 (1.77169e-07% change)
large trace change predicted (5.53253e-07%)
linmin: converged after 3 iterations.
iteration 424: trace = 2.578882067926347 (5.53252e-07% change)
linmin: converged after 6 iterations.
iteration 425: trace = 2.57888206455133 (1.30871e-07% change)
large trace change predicted (5.55757e-07%)
linmin: converged after 4 iterations.
iteration 426: trace = 2.578882050219244 (5.55748e-07% change)
linmin: converged after 22 iterations.
iteration 427: trace = 2.578882039301253 (4.23361e-07% change)
linmin: converged after 29 iterations.
iteration 428: trace = 2.578882035916876 (1.31234e-07% change)
large trace change predicted (4.92629e-07%)
linmin: converged after 16 iterations.
iteration 429: trace = 2.578882023212756 (4.92621e-07% change)
linmin: converged after 2 iterations.
iteration 430: trace = 2.578882016030413 (2.78506e-07% change)
linmin: converged after 4 iterations.
iteration 431: trace = 2.57888201061992 (2.098e-07% change)
large trace change predicted (4.41943e-07%)
linmin: converged after 5 iterations.
iteration 432: trace = 2.578881999222959 (4.41934e-07% change)
linmin: converged after 9 iterations.
iteration 433: trace = 2.578881990164549 (3.51253e-07% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.578881985954999 (1.63232e-07% change)
large trace change predicted (4.93198e-07%)
linmin: converged after 5 iterations.
iteration 435: trace = 2.578881973236215 (4.9319e-07% change)
linmin: converged after 20 iterations.
iteration 436: trace = 2.578881962807785 (4.04378e-07% change)
linmin: converged after 4 iterations.
iteration 437: trace = 2.578881957293434 (2.13827e-07% change)
large trace change predicted (5.69584e-07%)
linmin: converged after 20 iterations.
iteration 438: trace = 2.57888194260472 (5.69577e-07% change)
linmin: converged after 3 iterations.
iteration 439: trace = 2.578881938537754 (1.57703e-07% change)
large trace change predicted (3.27811e-07%)
linmin: converged after 8 iterations.
iteration 440: trace = 2.578881930083957 (3.27809e-07% change)
linmin: converged after 10 iterations.
iteration 441: trace = 2.578881920162149 (3.84733e-07% change)
linmin: converged after 3 iterations.
iteration 442: trace = 2.578881912464808 (2.98476e-07% change)
linmin: converged after 11 iterations.
iteration 443: trace = 2.578881908075124 (1.70217e-07% change)
linmin: converged after 4 iterations.
iteration 444: trace = 2.578881900367723 (2.98866e-07% change)
linmin: converged after 3 iterations.
iteration 445: trace = 2.57888189572206 (1.80143e-07% change)
linmin: converged after 3 iterations.
iteration 446: trace = 2.578881890744253 (1.93022e-07% change)
linmin: converged after 2 iterations.
iteration 447: trace = 2.578881881909399 (3.42585e-07% change)
linmin: converged after 4 iterations.
iteration 448: trace = 2.578881880018332 (7.33289e-08% change)
large trace change predicted (2.81432e-07%)
linmin: converged after 3 iterations.
iteration 449: trace = 2.578881872760469 (2.81434e-07% change)
linmin: converged after 2 iterations.
iteration 450: trace = 2.57888186673831 (2.33518e-07% change)
linmin: converged after 4 iterations.
iteration 451: trace = 2.5788818639563 (1.07877e-07% change)
linmin: converged after 4 iterations.
iteration 452: trace = 2.578881859993886 (1.53649e-07% change)
linmin: converged after 9 iterations.
iteration 453: trace = 2.578881854783525 (2.0204e-07% change)
linmin: converged after 4 iterations.
iteration 454: trace = 2.578881853007518 (6.88673e-08% change)
large trace change predicted (1.52945e-07%)
linmin: converged after 4 iterations.
iteration 455: trace = 2.578881849063212 (1.52946e-07% change)
linmin: converged after 16 iterations.
iteration 456: trace = 2.578881843086535 (2.31755e-07% change)
linmin: converged after 7 iterations.
iteration 457: trace = 2.57888183978997 (1.27829e-07% change)
linmin: converged after 7 iterations.
iteration 458: trace = 2.578881835958173 (1.48584e-07% change)
linmin: converged after 3 iterations.
iteration 459: trace = 2.578881828467651 (2.90456e-07% change)
linmin: converged after 3 iterations.
iteration 460: trace = 2.578881827035234 (5.55441e-08% change)
large trace change predicted (2.62877e-07%)
linmin: converged after 4 iterations.
iteration 461: trace = 2.578881820255876 (2.6288e-07% change)
linmin: converged after 3 iterations.
iteration 462: trace = 2.578881817775461 (9.61818e-08% change)
linmin: converged after 3 iterations.
iteration 463: trace = 2.578881814346596 (1.32959e-07% change)
linmin: converged after 4 iterations.
iteration 464: trace = 2.578881808577203 (2.23717e-07% change)
linmin: converged after 12 iterations.
iteration 465: trace = 2.578881805941811 (1.02191e-07% change)
linmin: converged after 4 iterations.
iteration 466: trace = 2.578881801060249 (1.8929e-07% change)
linmin: converged after 5 iterations.
iteration 467: trace = 2.578881795843017 (2.02306e-07% change)
linmin: converged after 7 iterations.
iteration 468: trace = 2.578881794179496 (6.45055e-08% change)
large trace change predicted (1.59521e-07%)
linmin: converged after 4 iterations.
iteration 469: trace = 2.57888179006568 (1.59519e-07% change)
linmin: converged after 4 iterations.
iteration 470: trace = 2.578881784015823 (2.34592e-07% change)
linmin: converged after 5 iterations.
iteration 471: trace = 2.578881781443343 (9.97518e-08% change)
linmin: converged after 9 iterations.
iteration 472: trace = 2.578881778556654 (1.11936e-07% change)
linmin: converged after 3 iterations.
iteration 473: trace = 2.578881774866784 (1.4308e-07% change)
linmin: converged after 5 iterations.
iteration 474: trace = 2.578881773660004 (4.67947e-08% change)
linmin: converged after 13 iterations.
iteration 475: trace = 2.578881771567481 (8.11407e-08% change)
linmin: converged after 4 iterations.
iteration 476: trace = 2.578881768884465 (1.04038e-07% change)
linmin: converged after 14 iterations.
iteration 477: trace = 2.578881768221123 (2.57221e-08% change)
large trace change predicted (9.21641e-08%)
linmin: converged after 14 iterations.
iteration 478: trace = 2.578881765844351 (9.21629e-08% change)
linmin: converged after 5 iterations.
iteration 479: trace = 2.578881763287353 (9.91514e-08% change)
linmin: converged after 6 iterations.
iteration 480: trace = 2.578881762435282 (3.30404e-08% change)
large trace change predicted (1.04227e-07%)
linmin: converged after 4 iterations.
iteration 481: trace = 2.578881759747437 (1.04225e-07% change)
linmin: converged after 7 iterations.
iteration 482: trace = 2.578881756528326 (1.24826e-07% change)
linmin: converged after 4 iterations.
iteration 483: trace = 2.578881755828173 (2.71495e-08% change)
large trace change predicted (1.25791e-07%)
linmin: converged after 4 iterations.
iteration 484: trace = 2.578881752584197 (1.2579e-07% change)
linmin: converged after 2 iterations.
iteration 485: trace = 2.578881750817801 (6.84947e-08% change)
linmin: converged after 3 iterations.
iteration 486: trace = 2.578881749817505 (3.8788e-08% change)
large trace change predicted (1.0013e-07%)
linmin: converged after 3 iterations.
iteration 487: trace = 2.578881747235278 (1.0013e-07% change)
large trace change predicted (2.43235e-07%)
linmin: converged after 6 iterations.
iteration 488: trace = 2.57888174096231 (2.43244e-07% change)
large trace change predicted (6.32619e-07%)
linmin: converged after 5 iterations.
iteration 489: trace = 2.578881724647273 (6.3264e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.578881718426556 (2.41218e-07% change)
linmin: converged after 4 iterations.
iteration 491: trace = 2.578881716780178 (6.38408e-08% change)
linmin: converged after 7 iterations.
iteration 492: trace = 2.578881714248487 (9.81701e-08% change)
linmin: converged after 5 iterations.
iteration 493: trace = 2.578881712980371 (4.91731e-08% change)
linmin: converged after 7 iterations.
iteration 494: trace = 2.578881712148531 (3.22558e-08% change)
linmin: converged after 7 iterations.
iteration 495: trace = 2.578881710508369 (6.35997e-08% change)
linmin: converged after 5 iterations.
iteration 496: trace = 2.578881710055911 (1.75447e-08% change)
linmin: converged after 4 iterations.
iteration 497: trace = 2.578881709201378 (3.31358e-08% change)
linmin: converged after 5 iterations.
iteration 498: trace = 2.578881708396628 (3.12054e-08% change)
linmin: converged after 5 iterations.
iteration 499: trace = 2.578881708040746 (1.37999e-08% change)
large trace change predicted (4.78392e-08%)
linmin: converged after 4 iterations.
iteration 500: trace = 2.578881706807022 (4.78395e-08% change)
linmin: converged after 6 iterations.
iteration 501: trace = 2.578881705319007 (5.77e-08% change)
linmin: converged after 10 iterations.
iteration 502: trace = 2.578881704844703 (1.83918e-08% change)
large trace change predicted (4.39255e-08%)
linmin: converged after 15 iterations.
iteration 503: trace = 2.578881703711909 (4.39258e-08% change)
linmin: converged after 8 iterations.
iteration 504: trace = 2.578881702842232 (3.3723e-08% change)
linmin: converged after 4 iterations.
iteration 505: trace = 2.578881702605541 (9.17805e-09% change)
large trace change predicted (5.31418e-08%)
linmin: converged after 4 iterations.
iteration 506: trace = 2.578881701235065 (5.31423e-08% change)
linmin: converged after 4 iterations.
iteration 507: trace = 2.578881699599157 (6.34348e-08% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.578881698862904 (2.85493e-08% change)
large trace change predicted (6.56085e-08%)
linmin: converged after 4 iterations.
iteration 509: trace = 2.578881697170931 (6.56088e-08% change)
linmin: converged after 24 iterations.
iteration 510: trace = 2.57888169666101 (1.9773e-08% change)
linmin: converged after 3 iterations.
iteration 511: trace = 2.578881695920174 (2.8727e-08% change)
linmin: converged after 2 iterations.
iteration 512: trace = 2.578881694668283 (4.85439e-08% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.578881693905658 (2.95719e-08% change)
linmin: converged after 12 iterations.
iteration 514: trace = 2.578881693429598 (1.84599e-08% change)
linmin: converged after 5 iterations.
iteration 515: trace = 2.578881692567755 (3.34193e-08% change)
linmin: converged after 4 iterations.
iteration 516: trace = 2.578881692083071 (1.87943e-08% change)
linmin: converged after 4 iterations.
iteration 517: trace = 2.578881691498053 (2.26849e-08% change)
linmin: converged after 6 iterations.
iteration 518: trace = 2.578881690786688 (2.75843e-08% change)
linmin: converged after 7 iterations.
iteration 519: trace = 2.578881690544526 (9.39019e-09% change)
large trace change predicted (3.33005e-08%)
linmin: converged after 9 iterations.
iteration 520: trace = 2.578881689685758 (3.33e-08% change)
linmin: converged after 4 iterations.
iteration 521: trace = 2.578881688906706 (3.02089e-08% change)
linmin: converged after 7 iterations.
iteration 522: trace = 2.578881688428924 (1.85267e-08% change)
linmin: converged after 8 iterations.
iteration 523: trace = 2.578881688124509 (1.18041e-08% change)
large trace change predicted (3.26334e-08%)
linmin: converged after 6 iterations.
iteration 524: trace = 2.578881687282942 (3.2633e-08% change)
linmin: converged after 3 iterations.
iteration 525: trace = 2.578881687040559 (9.39876e-09% change)
large trace change predicted (1.94505e-08%)
linmin: converged after 8 iterations.
iteration 526: trace = 2.578881686538957 (1.94504e-08% change)
linmin: converged after 28 iterations.
iteration 527: trace = 2.578881685941983 (2.31485e-08% change)
linmin: converged after 7 iterations.
iteration 528: trace = 2.578881685700483 (9.36451e-09% change)
large trace change predicted (3.7376e-08%)
linmin: converged after 7 iterations.
iteration 529: trace = 2.578881684736602 (3.7376e-08% change)
linmin: converged after 4 iterations.
iteration 530: trace = 2.578881683860251 (3.39818e-08% change)
linmin: converged after 6 iterations.
iteration 531: trace = 2.578881683598155 (1.01632e-08% change)
large trace change predicted (2.16464e-08%)
linmin: converged after 5 iterations.
iteration 532: trace = 2.578881683039921 (2.16463e-08% change)
linmin: converged after 4 iterations.
iteration 533: trace = 2.578881682597069 (1.71723e-08% change)
linmin: converged after 23 iterations.
iteration 534: trace = 2.578881682325931 (1.05138e-08% change)
large trace change predicted (3.5112e-08%)
linmin: converged after 3 iterations.
iteration 535: trace = 2.578881681420434 (3.5112e-08% change)
linmin: converged after 19 iterations.
iteration 536: trace = 2.578881680759065 (2.56456e-08% change)
linmin: converged after 26 iterations.
iteration 537: trace = 2.578881680517772 (9.35651e-09% change)
large trace change predicted (2.50835e-08%)
linmin: converged after 4 iterations.
iteration 538: trace = 2.5788816798709 (2.50834e-08% change)
linmin: converged after 5 iterations.
iteration 539: trace = 2.578881679263183 (2.35651e-08% change)
linmin: converged after 4 iterations.
iteration 540: trace = 2.578881679054399 (8.09592e-09% change)
large trace change predicted (2.08287e-08%)
linmin: converged after 7 iterations.
iteration 541: trace = 2.578881678517249 (2.08288e-08% change)
linmin: converged after 5 iterations.
iteration 542: trace = 2.578881678158877 (1.38964e-08% change)
linmin: converged after 11 iterations.
iteration 543: trace = 2.578881677940108 (8.4831e-09% change)
linmin: converged after 7 iterations.
iteration 544: trace = 2.578881677524349 (1.61217e-08% change)
linmin: converged after 6 iterations.
iteration 545: trace = 2.578881677206355 (1.23307e-08% change)
linmin: converged after 4 iterations.
iteration 546: trace = 2.578881676968276 (9.23187e-09% change)
large trace change predicted (1.86965e-08%)
linmin: converged after 4 iterations.
iteration 547: trace = 2.578881676486112 (1.86966e-08% change)
linmin: converged after 4 iterations.
iteration 548: trace = 2.578881676296866 (7.3383e-09% change)
linmin: converged after 13 iterations.
iteration 549: trace = 2.578881676070456 (8.77942e-09% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.578881675728816 (1.32476e-08% change)
linmin: converged after 3 iterations.
iteration 551: trace = 2.578881675497678 (8.96271e-09% change)
linmin: converged after 3 iterations.
iteration 552: trace = 2.578881675242907 (9.87914e-09% change)
linmin: converged after 6 iterations.
iteration 553: trace = 2.57888167487022 (1.44515e-08% change)
linmin: converged after 19 iterations.
iteration 554: trace = 2.578881674776116 (3.64902e-09% change)
large trace change predicted (8.65085e-09%)
linmin: converged after 21 iterations.
iteration 555: trace = 2.578881674553021 (8.65086e-09% change)
linmin: converged after 11 iterations.
iteration 556: trace = 2.57888167437303 (6.97939e-09% change)
linmin: converged after 4 iterations.
iteration 557: trace = 2.578881674323784 (1.90959e-09% change)
large trace change predicted (1.07489e-08%)
linmin: converged after 4 iterations.
iteration 558: trace = 2.578881674046585 (1.07488e-08% change)
linmin: converged after 4 iterations.
iteration 559: trace = 2.578881673624115 (1.63819e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 560: trace = 2.578881673512144 (4.34184e-09% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.578881673295886 (8.38573e-09% change)
linmin: converged after 7 iterations.
iteration 562: trace = 2.578881673157047 (5.3837e-09% change)
linmin: converged after 7 iterations.
iteration 563: trace = 2.578881673066309 (3.51849e-09% change)
linmin: converged after 5 iterations.
iteration 564: trace = 2.578881672932382 (5.19322e-09% change)
linmin: converged after 19 iterations.
iteration 565: trace = 2.578881672734481 (7.67392e-09% change)
linmin: converged after 6 iterations.
iteration 566: trace = 2.578881672675247 (2.29689e-09% change)
large trace change predicted (7.54241e-09%)
linmin: converged after 20 iterations.
iteration 567: trace = 2.578881672480739 (7.54234e-09% change)
linmin: converged after 4 iterations.
iteration 568: trace = 2.578881672331461 (5.78846e-09% change)
linmin: converged after 5 iterations.
iteration 569: trace = 2.578881672236288 (3.69047e-09% change)
large trace change predicted (9.53334e-09%)
linmin: converged after 4 iterations.
iteration 570: trace = 2.578881671990434 (9.53337e-09% change)
linmin: converged after 4 iterations.
iteration 571: trace = 2.578881671914584 (2.94118e-09% change)
large trace change predicted (7.29543e-09%)
linmin: converged after 12 iterations.
iteration 572: trace = 2.578881671726443 (7.29547e-09% change)
linmin: converged after 21 iterations.
iteration 573: trace = 2.578881671543017 (7.11262e-09% change)
linmin: converged after 3 iterations.
iteration 574: trace = 2.578881671473154 (2.70905e-09% change)
large trace change predicted (6.57549e-09%)
linmin: converged after 12 iterations.
iteration 575: trace = 2.57888167130358 (6.57547e-09% change)
linmin: converged after 7 iterations.
iteration 576: trace = 2.578881671088701 (8.33226e-09% change)
linmin: converged after 5 iterations.
iteration 577: trace = 2.578881671032781 (2.16837e-09% change)
large trace change predicted (1.09121e-08%)
linmin: converged after 4 iterations.
iteration 578: trace = 2.578881670751375 (1.09119e-08% change)
linmin: converged after 12 iterations.
iteration 579: trace = 2.578881670591658 (6.19327e-09% change)
linmin: converged after 4 iterations.
iteration 580: trace = 2.578881670513216 (3.04169e-09% change)
large trace change predicted (1.04119e-08%)
linmin: converged after 20 iterations.
iteration 581: trace = 2.578881670244702 (1.0412e-08% change)
linmin: converged after 4 iterations.
iteration 582: trace = 2.578881670042271 (7.84955e-09% change)
linmin: converged after 6 iterations.
iteration 583: trace = 2.578881669975914 (2.57311e-09% change)
large trace change predicted (7.51575e-09%)
linmin: converged after 4 iterations.
iteration 584: trace = 2.578881669782093 (7.5157e-09% change)
linmin: converged after 3 iterations.
iteration 585: trace = 2.578881669703646 (3.0419e-09% change)
linmin: converged after 3 iterations.
iteration 586: trace = 2.578881669557983 (5.6483e-09% change)
linmin: converged after 22 iterations.
iteration 587: trace = 2.578881669411186 (5.69227e-09% change)
linmin: converged after 7 iterations.
iteration 588: trace = 2.578881669317883 (3.61797e-09% change)
linmin: converged after 4 iterations.
iteration 589: trace = 2.578881669236906 (3.14e-09% change)
large trace change predicted (6.96832e-09%)
linmin: converged after 20 iterations.
iteration 590: trace = 2.5788816690572 (6.96837e-09% change)
linmin: converged after 24 iterations.
iteration 591: trace = 2.57888166890418 (5.93359e-09% change)
linmin: converged after 18 iterations.
iteration 592: trace = 2.578881668853529 (1.96404e-09% change)
large trace change predicted (5.39672e-09%)
linmin: converged after 11 iterations.
iteration 593: trace = 2.578881668714356 (5.39665e-09% change)
linmin: converged after 4 iterations.
iteration 594: trace = 2.578881668589363 (4.84682e-09% change)
linmin: converged after 5 iterations.
iteration 595: trace = 2.578881668560112 (1.13424e-09% change)
large trace change predicted (3.13085e-09%)
linmin: converged after 7 iterations.
iteration 596: trace = 2.578881668479373 (3.13076e-09% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.578881668368087 (4.3153e-09% change)
linmin: converged after 12 iterations.
iteration 598: trace = 2.578881668327885 (1.5589e-09% change)
large trace change predicted (5.339e-09%)
linmin: converged after 5 iterations.
iteration 599: trace = 2.578881668190197 (5.33904e-09% change)
linmin: converged after 15 iterations.
iteration 600: trace = 2.578881668069743 (4.67078e-09% change)
linmin: converged after 24 iterations.
iteration 601: trace = 2.578881668035215 (1.33889e-09% change)
large trace change predicted (3.15479e-09%)
linmin: converged after 12 iterations.
iteration 602: trace = 2.578881667953855 (3.15485e-09% change)
linmin: converged after 21 iterations.
iteration 603: trace = 2.578881667910796 (1.66967e-09% change)
linmin: converged after 24 iterations.
iteration 604: trace = 2.578881667856274 (2.11418e-09% change)
linmin: converged after 3 iterations.
iteration 605: trace = 2.578881667765254 (3.52944e-09% change)
linmin: converged after 19 iterations.
iteration 606: trace = 2.578881667737539 (1.0747e-09% change)
large trace change predicted (3.07161e-09%)
linmin: converged after 2 iterations.
iteration 607: trace = 2.578881667658322 (3.07173e-09% change)
linmin: converged after 7 iterations.
iteration 608: trace = 2.578881667584383 (2.86712e-09% change)
linmin: converged after 4 iterations.
iteration 609: trace = 2.578881667557337 (1.04875e-09% change)
large trace change predicted (3.28848e-09%)
linmin: converged after 27 iterations.
iteration 610: trace = 2.57888166747253 (3.28853e-09% change)
linmin: converged after 24 iterations.
iteration 611: trace = 2.57888166736174 (4.29605e-09% change)
linmin: converged after 10 iterations.
iteration 612: trace = 2.578881667282033 (3.09075e-09% change)
linmin: converged after 23 iterations.
iteration 613: trace = 2.578881667222985 (2.28965e-09% change)
linmin: converged after 4 iterations.
iteration 614: trace = 2.578881667151451 (2.77383e-09% change)
linmin: converged after 9 iterations.
iteration 615: trace = 2.578881667116891 (1.34013e-09% change)
linmin: converged after 19 iterations.
iteration 616: trace = 2.578881667068707 (1.86839e-09% change)
linmin: converged after 24 iterations.
iteration 617: trace = 2.578881666997116 (2.77607e-09% change)
linmin: converged after 4 iterations.
iteration 618: trace = 2.578881666943873 (2.06455e-09% change)
linmin: converged after 4 iterations.
iteration 619: trace = 2.578881666924302 (7.58895e-10% change)
large trace change predicted (2.04941e-09%)
linmin: converged after 6 iterations.
iteration 620: trace = 2.578881666871453 (2.04933e-09% change)
linmin: converged after 8 iterations.
iteration 621: trace = 2.578881666829185 (1.63899e-09% change)
linmin: converged after 6 iterations.
iteration 622: trace = 2.578881666776131 (2.05725e-09% change)
linmin: converged after 5 iterations.
iteration 623: trace = 2.578881666709835 (2.57074e-09% change)
linmin: converged after 7 iterations.
iteration 624: trace = 2.578881666694345 (6.00641e-10% change)
large trace change predicted (1.31907e-09%)
linmin: converged after 15 iterations.
iteration 625: trace = 2.578881666660327 (1.3191e-09% change)
linmin: converged after 16 iterations.
iteration 626: trace = 2.578881666625079 (1.3668e-09% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.578881666610428 (5.68112e-10% change)
large trace change predicted (3.02454e-09%)
linmin: converged after 3 iterations.
iteration 628: trace = 2.578881666532428 (3.02456e-09% change)
linmin: converged after 6 iterations.
iteration 629: trace = 2.578881666402975 (5.01973e-09% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 630: trace = 2.578881666365661 (1.44689e-09% change)
linmin: converged after 14 iterations.
iteration 631: trace = 2.578881666308834 (2.20355e-09% change)
linmin: converged after 4 iterations.
iteration 632: trace = 2.578881666271098 (1.46327e-09% change)
linmin: converged after 3 iterations.
iteration 633: trace = 2.578881666261256 (3.81652e-10% change)
large trace change predicted (1.10518e-09%)
linmin: converged after 4 iterations.
iteration 634: trace = 2.578881666232756 (1.10514e-09% change)
linmin: converged after 5 iterations.
iteration 635: trace = 2.578881666211092 (8.40037e-10% change)
linmin: converged after 8 iterations.
iteration 636: trace = 2.578881666196355 (5.71436e-10% change)
linmin: converged after 15 iterations.
iteration 637: trace = 2.578881666170575 (9.99686e-10% change)
linmin: converged after 7 iterations.
iteration 638: trace = 2.578881666158961 (4.50326e-10% change)
linmin: converged after 3 iterations.
iteration 639: trace = 2.578881666137326 (8.38952e-10% change)
large trace change predicted (1.70635e-09%)
linmin: converged after 16 iterations.
iteration 640: trace = 2.578881666093318 (1.70646e-09% change)
linmin: converged after 4 iterations.
iteration 641: trace = 2.578881666076654 (6.46189e-10% change)
large trace change predicted (1.54369e-09%)
linmin: converged after 10 iterations.
iteration 642: trace = 2.578881666036843 (1.54371e-09% change)
linmin: converged after 4 iterations.
iteration 643: trace = 2.578881665998372 (1.49179e-09% change)
linmin: converged after 6 iterations.
iteration 644: trace = 2.578881665989188 (3.56131e-10% change)
large trace change predicted (9.14615e-10%)
linmin: converged after 4 iterations.
iteration 645: trace = 2.5788816659656 (9.14652e-10% change)
linmin: converged after 13 iterations.
iteration 646: trace = 2.578881665938786 (1.03974e-09% change)
linmin: converged after 3 iterations.
iteration 647: trace = 2.578881665927605 (4.33588e-10% change)
large trace change predicted (1.85373e-09%)
linmin: converged after 5 iterations.
iteration 648: trace = 2.578881665879801 (1.85365e-09% change)
linmin: converged after 6 iterations.
iteration 649: trace = 2.578881665849486 (1.17552e-09% change)
linmin: converged after 3 iterations.
iteration 650: trace = 2.578881665837637 (4.59453e-10% change)
linmin: converged after 4 iterations.
iteration 651: trace = 2.578881665818133 (7.56295e-10% change)
linmin: converged after 3 iterations.
iteration 652: trace = 2.578881665793404 (9.58891e-10% change)
linmin: converged after 3 iterations.
iteration 653: trace = 2.57888166578838 (1.94847e-10% change)
large trace change predicted (6.15716e-10%)
linmin: converged after 3 iterations.
iteration 654: trace = 2.578881665772504 (6.15606e-10% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.578881665755103 (6.74757e-10% change)
linmin: converged after 15 iterations.
iteration 656: trace = 2.578881665733172 (8.50404e-10% change)
linmin: converged after 3 iterations.
iteration 657: trace = 2.578881665727903 (2.04301e-10% change)
large trace change predicted (8.55276e-10%)
linmin: converged after 12 iterations.
iteration 658: trace = 2.578881665705846 (8.55277e-10% change)
linmin: converged after 5 iterations.
iteration 659: trace = 2.578881665687642 (7.05891e-10% change)
linmin: converged after 12 iterations.
iteration 660: trace = 2.578881665677319 (4.00284e-10% change)
large trace change predicted (1.03966e-09%)
linmin: converged after 3 iterations.
iteration 661: trace = 2.578881665650508 (1.03965e-09% change)
linmin: converged after 4 iterations.
iteration 662: trace = 2.578881665630861 (7.6184e-10% change)
linmin: converged after 15 iterations.
iteration 663: trace = 2.578881665624601 (2.42754e-10% change)
large trace change predicted (8.73049e-10%)
linmin: converged after 10 iterations.
iteration 664: trace = 2.578881665602088 (8.72979e-10% change)
linmin: converged after 3 iterations.
iteration 665: trace = 2.578881665585691 (6.35805e-10% change)
linmin: converged after 9 iterations.
iteration 666: trace = 2.578881665579373 (2.44975e-10% change)
large trace change predicted (5.44998e-10%)
linmin: converged after 3 iterations.
iteration 667: trace = 2.578881665565317 (5.45072e-10% change)
linmin: converged after 3 iterations.
iteration 668: trace = 2.578881665550274 (5.83318e-10% change)
linmin: converged after 8 iterations.
iteration 669: trace = 2.578881665539279 (4.26321e-10% change)
linmin: converged after 15 iterations.
iteration 670: trace = 2.578881665517534 (8.43188e-10% change)
linmin: converged after 3 iterations.
iteration 671: trace = 2.5788816655135 (1.56429e-10% change)
large trace change predicted (6.11963e-10%)
linmin: converged after 7 iterations.
iteration 672: trace = 2.578881665497717 (6.12007e-10% change)
linmin: converged after 3 iterations.
iteration 673: trace = 2.578881665485625 (4.68907e-10% change)
linmin: converged after 2 iterations.
iteration 674: trace = 2.578881665477133 (3.29285e-10% change)
linmin: converged after 4 iterations.
iteration 675: trace = 2.578881665468803 (3.23017e-10% change)
linmin: converged after 15 iterations.
iteration 676: trace = 2.578881665455805 (5.04002e-10% change)
linmin: converged after 15 iterations.
iteration 677: trace = 2.578881665446927 (3.44267e-10% change)
linmin: converged after 4 iterations.
iteration 678: trace = 2.578881665434703 (4.74004e-10% change)
linmin: converged after 14 iterations.
iteration 679: trace = 2.578881665414669 (7.76839e-10% change)
linmin: converged after 4 iterations.
iteration 680: trace = 2.578881665410171 (1.74406e-10% change)
large trace change predicted (5.34734e-10%)
linmin: converged after 6 iterations.
iteration 681: trace = 2.578881665396382 (5.34705e-10% change)
linmin: converged after 13 iterations.
iteration 682: trace = 2.578881665382299 (5.46105e-10% change)
linmin: converged after 12 iterations.
iteration 683: trace = 2.578881665377376 (1.90886e-10% change)
large trace change predicted (4.80507e-10%)
linmin: converged after 11 iterations.
iteration 684: trace = 2.578881665364982 (4.80582e-10% change)
linmin: converged after 4 iterations.
iteration 685: trace = 2.578881665352843 (4.70698e-10% change)
linmin: converged after 4 iterations.
iteration 686: trace = 2.578881665343447 (3.64363e-10% change)
linmin: converged after 3 iterations.
iteration 687: trace = 2.578881665339246 (1.62886e-10% change)
large trace change predicted (3.86006e-10%)
linmin: converged after 8 iterations.
iteration 688: trace = 2.578881665329292 (3.86009e-10% change)
linmin: converged after 15 iterations.
iteration 689: trace = 2.57888166532241 (2.66845e-10% change)
linmin: converged after 4 iterations.
iteration 690: trace = 2.578881665319939 (9.58133e-11% change)
Finished solving for bands 1 to 10 after 690 iterations.
tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357
elapsed time for k point: 6.103622674942017
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.744311706566845 (2.29525% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.727853429188773 (0.601527% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.712444778499678 (0.566463% change)
linmin: converged after 3 iterations.
iteration 4: trace = 2.709059882647264 (0.124869% change)
large trace change predicted (0.449863%)
linmin: converged after 5 iterations.
iteration 5: trace = 2.697341162333736 (0.433513% change)
linmin: converged after 3 iterations.
iteration 6: trace = 2.694430122046091 (0.107981% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.689690881339194 (0.176045% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.684920914106784 (0.1775% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.683317893044006 (0.0597224% change)
large trace change predicted (0.123465%)
linmin: converged after 4 iterations.
iteration 10: trace = 2.680111196554443 (0.119576% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.678994185279359 (0.0416865% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.677047604712764 (0.0726873% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.675749668986879 (0.0484956% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.675253512529668 (0.0185444% change)
large trace change predicted (0.0689961%)
linmin: converged after 5 iterations.
iteration 15: trace = 2.673466767247756 (0.0668102% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.672597660652589 (0.0325139% change)
large trace change predicted (0.0848707%)
linmin: converged after 5 iterations.
iteration 17: trace = 2.670556349849861 (0.0764085% change)
linmin: converged after 5 iterations.
iteration 18: trace = 2.669703874082995 (0.0319264% change)
linmin: converged after 6 iterations.
iteration 19: trace = 2.668900351150444 (0.0301024% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.668441764783743 (0.0171841% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.667894295966653 (0.0205185% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.667712420203308 (0.00681744% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.667380646818715 (0.0124374% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.667219082742461 (0.00605721% change)
large trace change predicted (0.0140638%)
linmin: converged after 4 iterations.
iteration 25: trace = 2.66684774538052 (0.0139232% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.666714603089204 (0.00499262% change)
large trace change predicted (0.0115122%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.666408036339559 (0.0114967% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.666220305149554 (0.00704085% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.66597312092934 (0.00927139% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.665789186993254 (0.00689955% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.665604105047465 (0.0069431% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.665322393682089 (0.0105689% change)
linmin: converged after 3 iterations.
iteration 33: trace = 2.665175370989547 (0.00551628% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.664933916151045 (0.00906003% change)
linmin: converged after 3 iterations.
iteration 35: trace = 2.664826985369218 (0.00401259% change)
large trace change predicted (0.0092731%)
linmin: converged after 4 iterations.
iteration 36: trace = 2.664575674215955 (0.00943112% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.664486077834961 (0.00336256% change)
large trace change predicted (0.00824588%)
linmin: converged after 3 iterations.
iteration 38: trace = 2.66426321971807 (0.00836437% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.664167698140893 (0.00358535% change)
large trace change predicted (0.00963697%)
linmin: converged after 3 iterations.
iteration 40: trace = 2.663907663756214 (0.00976091% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.663805028176641 (0.00385289% change)
large trace change predicted (0.010414%)
linmin: converged after 4 iterations.
iteration 42: trace = 2.663525763579706 (0.0104842% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.663401608748139 (0.00466141% change)
large trace change predicted (0.00944192%)
linmin: converged after 4 iterations.
iteration 44: trace = 2.663149126389749 (0.00948014% change)
linmin: converged after 4 iterations.
iteration 45: trace = 2.663044892504995 (0.00391401% change)
large trace change predicted (0.00793982%)
linmin: converged after 4 iterations.
iteration 46: trace = 2.662833377783387 (0.0079429% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.662716816016567 (0.00437745% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.662492945270663 (0.00840796% change)
linmin: converged after 10 iterations.
iteration 49: trace = 2.662363198583294 (0.00487325% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.662194435901293 (0.00633903% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.662058263970111 (0.00511516% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.661880036824464 (0.00669531% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.661724424549829 (0.00584612% change)
linmin: converged after 4 iterations.
iteration 54: trace = 2.661571659351845 (0.0057395% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.661350624840456 (0.00830501% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.661190937801536 (0.00600041% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.660967704777387 (0.00838882% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.660849318412781 (0.0044491% change)
large trace change predicted (0.00999838%)
linmin: converged after 4 iterations.
iteration 59: trace = 2.660586139879843 (0.00989126% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.660492932363067 (0.00350333% change)
large trace change predicted (0.00837966%)
linmin: converged after 4 iterations.
iteration 61: trace = 2.660271734284825 (0.00831452% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.660168754141257 (0.00387111% change)
large trace change predicted (0.0102877%)
linmin: converged after 4 iterations.
iteration 63: trace = 2.659896542020582 (0.0102334% change)
linmin: converged after 6 iterations.
iteration 64: trace = 2.659777432904348 (0.00447806% change)
linmin: converged after 6 iterations.
iteration 65: trace = 2.659570313256062 (0.00778741% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.659406587425108 (0.00615629% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.659264423859675 (0.00534583% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.659119392291422 (0.00545397% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.659023915401236 (0.00359061% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.658915873699179 (0.00406329% change)
large trace change predicted (0.016385%)
linmin: converged after 3 iterations.
iteration 71: trace = 2.65847821219801 (0.0164615% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.658118975344289 (0.0135138% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.657882986337128 (0.00887844% change)
linmin: converged after 3 iterations.
iteration 74: trace = 2.657598355694323 (0.0107095% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.657541563519207 (0.002137% change)
large trace change predicted (0.00462973%)
linmin: converged after 3 iterations.
iteration 76: trace = 2.657418313642661 (0.00463785% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.657346174417507 (0.00271467% change)
linmin: converged after 6 iterations.
iteration 78: trace = 2.657324770813269 (0.000805454% change)
large trace change predicted (0.00211725%)
linmin: converged after 3 iterations.
iteration 79: trace = 2.657268389099224 (0.00212177% change)
linmin: converged after 3 iterations.
iteration 80: trace = 2.657245708872471 (0.00085352% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.657219660351481 (0.000980288% change)
linmin: converged after 3 iterations.
iteration 82: trace = 2.657182681218516 (0.00139166% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.657168089408553 (0.000549147% change)
large trace change predicted (0.00207295%)
linmin: converged after 3 iterations.
iteration 84: trace = 2.657112955464979 (0.00207494% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.657052124539778 (0.00228939% change)
linmin: converged after 9 iterations.
iteration 86: trace = 2.657017628805025 (0.00129828% change)
large trace change predicted (0.0041929%)
linmin: converged after 3 iterations.
iteration 87: trace = 2.656905955255567 (0.00420305% change)
linmin: converged after 4 iterations.
iteration 88: trace = 2.656840795769683 (0.00245249% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.656716258420769 (0.00468753% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.656564762507229 (0.00570254% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.656504400467738 (0.00227221% change)
large trace change predicted (0.00808324%)
linmin: converged after 4 iterations.
iteration 92: trace = 2.656289837853747 (0.0080772% change)
linmin: converged after 3 iterations.
iteration 93: trace = 2.656193473489253 (0.00362785% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.656063428358988 (0.00489604% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.655889889600818 (0.0065339% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.655839142251867 (0.00191077% change)
large trace change predicted (0.00421301%)
linmin: converged after 3 iterations.
iteration 97: trace = 2.655727256189858 (0.00421292% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.655616150869089 (0.0041837% change)
linmin: converged after 4 iterations.
iteration 99: trace = 2.655571209211261 (0.00169234% change)
linmin: converged after 3 iterations.
iteration 100: trace = 2.655503811953288 (0.00253799% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.655488980723592 (0.000558511% change)
large trace change predicted (0.00182287%)
linmin: converged after 3 iterations.
iteration 102: trace = 2.655440595979532 (0.00182208% change)
linmin: converged after 4 iterations.
iteration 103: trace = 2.655383205452213 (0.00216127% change)
linmin: converged after 5 iterations.
iteration 104: trace = 2.655357510966723 (0.000967642% change)
large trace change predicted (0.00357653%)
linmin: converged after 4 iterations.
iteration 105: trace = 2.655262493743208 (0.00357839% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.655229576881033 (0.00123969% change)
large trace change predicted (0.00270501%)
linmin: converged after 3 iterations.
iteration 107: trace = 2.655157690114051 (0.0027074% change)
linmin: converged after 3 iterations.
iteration 108: trace = 2.655030930807147 (0.00477419% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.654980461725226 (0.0019009% change)
large trace change predicted (0.00534967%)
linmin: converged after 4 iterations.
iteration 110: trace = 2.65483831067593 (0.00535427% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.654712145935743 (0.00475237% change)
linmin: converged after 4 iterations.
iteration 112: trace = 2.654658501141271 (0.00202076% change)
linmin: converged after 4 iterations.
iteration 113: trace = 2.654566839474135 (0.00345292% change)
linmin: converged after 4 iterations.
iteration 114: trace = 2.654539506720603 (0.00102966% change)
large trace change predicted (0.00383287%)
linmin: converged after 4 iterations.
iteration 115: trace = 2.654437788715784 (0.00383192% change)
linmin: converged after 4 iterations.
iteration 116: trace = 2.654364539132505 (0.00275955% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.654340189959548 (0.00091733% change)
large trace change predicted (0.00275142%)
linmin: converged after 3 iterations.
iteration 118: trace = 2.654267203206098 (0.00274975% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.654255160348953 (0.000453718% change)
large trace change predicted (0.00136354%)
linmin: converged after 3 iterations.
iteration 120: trace = 2.654218987146353 (0.00136285% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.654200862719402 (0.000682856% change)
linmin: converged after 4 iterations.
iteration 122: trace = 2.65419338921621 (0.000281573% change)
large trace change predicted (0.000758533%)
linmin: converged after 5 iterations.
iteration 123: trace = 2.65417325754406 (0.000758488% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.654167283770966 (0.000225071% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.654157924388185 (0.00035263% change)
linmin: converged after 4 iterations.
iteration 126: trace = 2.654147428429356 (0.000395454% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.65414356521363 (0.000145554% change)
large trace change predicted (0.000376496%)
linmin: converged after 4 iterations.
iteration 128: trace = 2.654133572243902 (0.000376505% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.654120961518042 (0.000475136% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.654109191835844 (0.00044345% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.654085880836995 (0.000878302% change)
linmin: converged after 6 iterations.
iteration 132: trace = 2.654077837930282 (0.000303039% change)
large trace change predicted (0.000990428%)
linmin: converged after 3 iterations.
iteration 133: trace = 2.654051536673845 (0.00099098% change)
linmin: converged after 5 iterations.
iteration 134: trace = 2.654040116195589 (0.000430304% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.654033618699459 (0.000244816% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.654022217430992 (0.000429584% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.654018101221194 (0.000155093% change)
large trace change predicted (0.00048083%)
linmin: converged after 3 iterations.
iteration 138: trace = 2.65400533905391 (0.000480863% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.65399702905286 (0.000313112% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 140: trace = 2.653995088459377 (7.31197e-05% change)
linmin: converged after 4 iterations.
iteration 141: trace = 2.653992473173823 (9.85415e-05% change)
linmin: converged after 3 iterations.
iteration 142: trace = 2.6539901550025 (8.73466e-05% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.653988588755459 (5.90148e-05% change)
linmin: converged after 4 iterations.
iteration 144: trace = 2.653985747965276 (0.000107039% change)
linmin: converged after 5 iterations.
iteration 145: trace = 2.653984648480818 (4.14277e-05% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.6539827442467 (7.175e-05% change)
linmin: converged after 4 iterations.
iteration 147: trace = 2.653979604141536 (0.000118317% change)
linmin: converged after 5 iterations.
iteration 148: trace = 2.653979060079978 (2.04998e-05% change)
large trace change predicted (9.46791e-05%)
linmin: converged after 3 iterations.
iteration 149: trace = 2.653976547210318 (9.46831e-05% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.653975158224627 (5.2336e-05% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.653973699093475 (5.49791e-05% change)
large trace change predicted (0.000111656%)
linmin: converged after 3 iterations.
iteration 152: trace = 2.65397073580476 (0.000111655% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.653968437943291 (8.65821e-05% change)
linmin: converged after 2 iterations.
iteration 154: trace = 2.653966790958189 (6.20575e-05% change)
large trace change predicted (0.000206077%)
linmin: converged after 5 iterations.
iteration 155: trace = 2.653961321414043 (0.00020609% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.653959586308098 (6.5378e-05% change)
large trace change predicted (0.000249099%)
linmin: converged after 4 iterations.
iteration 157: trace = 2.653952975410349 (0.000249096% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.653947557440701 (0.000204147% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.653944316216653 (0.000122128% change)
large trace change predicted (0.000321194%)
linmin: converged after 4 iterations.
iteration 160: trace = 2.653935789769726 (0.000321275% change)
linmin: converged after 4 iterations.
iteration 161: trace = 2.653926974756279 (0.000332149% change)
linmin: converged after 4 iterations.
iteration 162: trace = 2.653925366529978 (6.0598e-05% change)
large trace change predicted (0.000210672%)
linmin: converged after 4 iterations.
iteration 163: trace = 2.653919774884092 (0.000210694% change)
linmin: converged after 4 iterations.
iteration 164: trace = 2.653917952098645 (6.86828e-05% change)
linmin: converged after 4 iterations.
iteration 165: trace = 2.653915878528639 (7.81324e-05% change)
linmin: converged after 4 iterations.
iteration 166: trace = 2.653913457863796 (9.12111e-05% change)
linmin: converged after 3 iterations.
iteration 167: trace = 2.653912728937688 (2.74661e-05% change)
large trace change predicted (0.000100225%)
linmin: converged after 5 iterations.
iteration 168: trace = 2.653910068832205 (0.000100233% change)
linmin: converged after 4 iterations.
iteration 169: trace = 2.653908236923407 (6.90268e-05% change)
linmin: converged after 3 iterations.
iteration 170: trace = 2.653907655542546 (2.19066e-05% change)
large trace change predicted (7.38394e-05%)
linmin: converged after 8 iterations.
iteration 171: trace = 2.653905696182572 (7.38293e-05% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.653904101524922 (6.00872e-05% change)
linmin: converged after 4 iterations.
iteration 173: trace = 2.65390359935577 (1.89219e-05% change)
large trace change predicted (6.97395e-05%)
linmin: converged after 4 iterations.
iteration 174: trace = 2.653901748740724 (6.97318e-05% change)
linmin: converged after 7 iterations.
iteration 175: trace = 2.653900309093713 (5.42464e-05% change)
linmin: converged after 4 iterations.
iteration 176: trace = 2.653899661043319 (2.44188e-05% change)
large trace change predicted (8.21436e-05%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.653897481265382 (8.21349e-05% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.65389478450565 (0.000101615% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.653893725850911 (3.98906e-05% change)
large trace change predicted (0.000173259%)
linmin: converged after 4 iterations.
iteration 180: trace = 2.653889127603079 (0.000173264% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.653888302725084 (3.10819e-05% change)
large trace change predicted (9.92913e-05%)
linmin: converged after 5 iterations.
iteration 182: trace = 2.653885667431768 (9.92994e-05% change)
linmin: converged after 4 iterations.
iteration 183: trace = 2.653883594961416 (7.8092e-05% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.653882451031205 (4.3104e-05% change)
linmin: converged after 3 iterations.
iteration 185: trace = 2.653880513738066 (7.29985e-05% change)
linmin: converged after 3 iterations.
iteration 186: trace = 2.653880029985519 (1.82281e-05% change)
linmin: converged after 2 iterations.
iteration 187: trace = 2.653879272951855 (2.85255e-05% change)
linmin: converged after 4 iterations.
iteration 188: trace = 2.653878603134779 (2.52392e-05% change)
linmin: converged after 3 iterations.
iteration 189: trace = 2.653878402301266 (7.56755e-06% change)
large trace change predicted (1.8864e-05%)
linmin: converged after 3 iterations.
iteration 190: trace = 2.653877901679897 (1.88638e-05% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.653877422322583 (1.80625e-05% change)
linmin: converged after 2 iterations.
iteration 192: trace = 2.653877311013573 (4.1942e-06% change)
large trace change predicted (1.21075e-05%)
linmin: converged after 8 iterations.
iteration 193: trace = 2.653876989698607 (1.21074e-05% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.653876699362455 (1.09401e-05% change)
linmin: converged after 4 iterations.
iteration 195: trace = 2.653876504482589 (7.34322e-06% change)
large trace change predicted (1.82666e-05%)
linmin: converged after 3 iterations.
iteration 196: trace = 2.653876019727643 (1.82659e-05% change)
linmin: converged after 3 iterations.
iteration 197: trace = 2.653875742474495 (1.04471e-05% change)
large trace change predicted (2.56597e-05%)
linmin: converged after 3 iterations.
iteration 198: trace = 2.653875061536108 (2.56583e-05% change)
linmin: converged after 4 iterations.
iteration 199: trace = 2.653874148251663 (3.44132e-05% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.653873609274898 (2.03091e-05% change)
linmin: converged after 5 iterations.
iteration 201: trace = 2.653872934441708 (2.54282e-05% change)
linmin: converged after 4 iterations.
iteration 202: trace = 2.653871896054025 (3.91273e-05% change)
linmin: converged after 11 iterations.
iteration 203: trace = 2.653871548124646 (1.31103e-05% change)
large trace change predicted (3.26431e-05%)
linmin: converged after 3 iterations.
iteration 204: trace = 2.653870681752589 (3.26456e-05% change)
linmin: converged after 5 iterations.
iteration 205: trace = 2.653870113180877 (2.14242e-05% change)
linmin: converged after 8 iterations.
iteration 206: trace = 2.653869969355715 (5.41945e-06% change)
large trace change predicted (1.28858e-05%)
linmin: converged after 5 iterations.
iteration 207: trace = 2.65386962738419 (1.28858e-05% change)
linmin: converged after 4 iterations.
iteration 208: trace = 2.653869347066689 (1.05626e-05% change)
linmin: converged after 4 iterations.
iteration 209: trace = 2.653869078666865 (1.01135e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 210: trace = 2.653868929278431 (5.62908e-06% change)
linmin: converged after 3 iterations.
iteration 211: trace = 2.653868854720528 (2.8094e-06% change)
linmin: converged after 4 iterations.
iteration 212: trace = 2.653868739621619 (4.33702e-06% change)
linmin: converged after 4 iterations.
iteration 213: trace = 2.653868664026334 (2.84849e-06% change)
large trace change predicted (6.99836e-06%)
linmin: converged after 3 iterations.
iteration 214: trace = 2.653868478285486 (6.99887e-06% change)
linmin: converged after 2 iterations.
iteration 215: trace = 2.653868240868427 (8.94608e-06% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.653868168188466 (2.73864e-06% change)
large trace change predicted (1.06412e-05%)
linmin: converged after 4 iterations.
iteration 217: trace = 2.653867885773913 (1.06416e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.653867629580051 (9.6536e-06% change)
linmin: converged after 4 iterations.
iteration 219: trace = 2.6538674425532 (7.04733e-06% change)
large trace change predicted (1.43941e-05%)
linmin: converged after 2 iterations.
iteration 220: trace = 2.653867060548923 (1.43942e-05% change)
linmin: converged after 5 iterations.
iteration 221: trace = 2.653866955046615 (3.97542e-06% change)
large trace change predicted (1.13656e-05%)
linmin: converged after 2 iterations.
iteration 222: trace = 2.65386665341414 (1.13658e-05% change)
linmin: converged after 2 iterations.
iteration 223: trace = 2.65386635665272 (1.11822e-05% change)
linmin: converged after 2 iterations.
iteration 224: trace = 2.653866275659121 (3.05191e-06% change)
large trace change predicted (6.7759e-06%)
linmin: converged after 8 iterations.
iteration 225: trace = 2.653866095841 (6.7757e-06% change)
linmin: converged after 3 iterations.
iteration 226: trace = 2.653865950839495 (5.46378e-06% change)
linmin: converged after 16 iterations.
iteration 227: trace = 2.653865911375441 (1.48704e-06% change)
large trace change predicted (5.25307e-06%)
linmin: converged after 8 iterations.
iteration 228: trace = 2.653865771971354 (5.25287e-06% change)
linmin: converged after 30 iterations.
iteration 229: trace = 2.653865714385018 (2.1699e-06% change)
linmin: converged after 12 iterations.
iteration 230: trace = 2.653865636870298 (2.92082e-06% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.653865565556158 (2.68718e-06% change)
linmin: converged after 8 iterations.
iteration 232: trace = 2.653865524729734 (1.53838e-06% change)
linmin: converged after 4 iterations.
iteration 233: trace = 2.653865447933593 (2.89375e-06% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.653865309756233 (5.20665e-06% change)
linmin: converged after 3 iterations.
iteration 235: trace = 2.653865266341062 (1.63592e-06% change)
large trace change predicted (5.70743e-06%)
linmin: converged after 7 iterations.
iteration 236: trace = 2.65386511487547 (5.70736e-06% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.653864885071656 (8.65921e-06% change)
linmin: converged after 4 iterations.
iteration 238: trace = 2.653864825211013 (2.2556e-06% change)
large trace change predicted (1.44429e-05%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.653864441923401 (1.44426e-05% change)
linmin: converged after 2 iterations.
iteration 240: trace = 2.653864126069366 (1.19017e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.653864012362174 (4.28459e-06% change)
large trace change predicted (9.19425e-06%)
linmin: converged after 2 iterations.
iteration 242: trace = 2.653863768346315 (9.19474e-06% change)
linmin: converged after 13 iterations.
iteration 243: trace = 2.653863532230602 (8.89706e-06% change)
linmin: converged after 2 iterations.
iteration 244: trace = 2.653863422465232 (4.13606e-06% change)
linmin: converged after 3 iterations.
iteration 245: trace = 2.653863204777629 (8.20267e-06% change)
linmin: converged after 2 iterations.
iteration 246: trace = 2.653863147350654 (2.1639e-06% change)
large trace change predicted (6.36488e-06%)
linmin: converged after 2 iterations.
iteration 247: trace = 2.653862978430967 (6.36505e-06% change)
linmin: converged after 2 iterations.
iteration 248: trace = 2.653862840031454 (5.21502e-06% change)
linmin: converged after 5 iterations.
iteration 249: trace = 2.653862795682846 (1.6711e-06% change)
linmin: converged after 2 iterations.
iteration 250: trace = 2.653862736730642 (2.22137e-06% change)
linmin: converged after 4 iterations.
iteration 251: trace = 2.653862665750763 (2.67459e-06% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.653862644330882 (8.07121e-07% change)
large trace change predicted (1.69537e-06%)
linmin: converged after 7 iterations.
iteration 253: trace = 2.653862599339077 (1.69533e-06% change)
linmin: converged after 3 iterations.
iteration 254: trace = 2.653862557331928 (1.58287e-06% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.653862542110703 (5.7355e-07% change)
large trace change predicted (2.41703e-06%)
linmin: converged after 3 iterations.
iteration 256: trace = 2.653862477967833 (2.41696e-06% change)
linmin: converged after 3 iterations.
iteration 257: trace = 2.653862429244086 (1.83596e-06% change)
linmin: converged after 3 iterations.
iteration 258: trace = 2.653862355632653 (2.77375e-06% change)
linmin: converged after 3 iterations.
iteration 259: trace = 2.653862240713912 (4.33025e-06% change)
linmin: converged after 23 iterations.
iteration 260: trace = 2.653862203252502 (1.41158e-06% change)
large trace change predicted (3.1063e-06%)
linmin: converged after 11 iterations.
iteration 261: trace = 2.653862120817853 (3.10621e-06% change)
linmin: converged after 22 iterations.
iteration 262: trace = 2.653862016477676 (3.93164e-06% change)
linmin: converged after 2 iterations.
iteration 263: trace = 2.653861991572831 (9.38438e-07% change)
large trace change predicted (3.48193e-06%)
linmin: converged after 2 iterations.
iteration 264: trace = 2.653861899166083 (3.48197e-06% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.653861840486549 (2.2111e-06% change)
linmin: converged after 10 iterations.
iteration 266: trace = 2.653861814272776 (9.8776e-07% change)
large trace change predicted (2.04508e-06%)
linmin: converged after 5 iterations.
iteration 267: trace = 2.653861759999947 (2.04505e-06% change)
linmin: converged after 2 iterations.
iteration 268: trace = 2.653861729712912 (1.14124e-06% change)
linmin: converged after 7 iterations.
iteration 269: trace = 2.653861713877479 (5.96694e-07% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.653861685810446 (1.05759e-06% change)
linmin: converged after 9 iterations.
iteration 271: trace = 2.653861676306803 (3.58106e-07% change)
linmin: converged after 2 iterations.
iteration 272: trace = 2.653861664510934 (4.44479e-07% change)
linmin: converged after 2 iterations.
iteration 273: trace = 2.653861651288211 (4.98245e-07% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.653861645654054 (2.123e-07% change)
linmin: converged after 9 iterations.
iteration 275: trace = 2.653861637341998 (3.13206e-07% change)
linmin: converged after 2 iterations.
iteration 276: trace = 2.653861624091749 (4.99282e-07% change)
linmin: converged after 9 iterations.
iteration 277: trace = 2.653861619920205 (1.57188e-07% change)
large trace change predicted (3.58256e-07%)
linmin: converged after 7 iterations.
iteration 278: trace = 2.653861610412518 (3.58259e-07% change)
large trace change predicted (1.10295e-06%)
linmin: converged after 3 iterations.
iteration 279: trace = 2.653861581142976 (1.1029e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.653861568519023 (4.75682e-07% change)
linmin: converged after 2 iterations.
iteration 281: trace = 2.653861552923175 (5.87666e-07% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.653861550081947 (1.0706e-07% change)
large trace change predicted (3.89619e-07%)
linmin: converged after 2 iterations.
iteration 283: trace = 2.653861539741979 (3.8962e-07% change)
linmin: converged after 4 iterations.
iteration 284: trace = 2.653861531354648 (3.16043e-07% change)
linmin: converged after 2 iterations.
iteration 285: trace = 2.65386152881386 (9.57393e-08% change)
large trace change predicted (4.06609e-07%)
linmin: converged after 4 iterations.
iteration 286: trace = 2.653861518023042 (4.06608e-07% change)
linmin: converged after 2 iterations.
iteration 287: trace = 2.653861510104847 (2.98365e-07% change)
linmin: converged after 2 iterations.
iteration 288: trace = 2.653861504210941 (2.22088e-07% change)
large trace change predicted (4.8236e-07%)
linmin: converged after 3 iterations.
iteration 289: trace = 2.653861491409842 (4.82357e-07% change)
linmin: converged after 30 iterations.
iteration 290: trace = 2.653861478284371 (4.9458e-07% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.653861467601732 (4.02532e-07% change)
large trace change predicted (9.49786e-07%)
linmin: converged after 2 iterations.
iteration 292: trace = 2.653861442395627 (9.4979e-07% change)
linmin: converged after 3 iterations.
iteration 293: trace = 2.653861432703633 (3.65203e-07% change)
large trace change predicted (9.25801e-07%)
linmin: converged after 2 iterations.
iteration 294: trace = 2.653861408134078 (9.25804e-07% change)
linmin: converged after 4 iterations.
iteration 295: trace = 2.653861380954655 (1.02415e-06% change)
linmin: converged after 2 iterations.
iteration 296: trace = 2.653861370695237 (3.86585e-07% change)
large trace change predicted (9.44367e-07%)
linmin: converged after 22 iterations.
iteration 297: trace = 2.653861345633382 (9.44354e-07% change)
linmin: converged after 2 iterations.
iteration 298: trace = 2.653861318083348 (1.03811e-06% change)
linmin: converged after 23 iterations.
iteration 299: trace = 2.653861309051124 (3.40343e-07% change)
large trace change predicted (1.07811e-06%)
linmin: converged after 3 iterations.
iteration 300: trace = 2.653861280439376 (1.07812e-06% change)
linmin: converged after 6 iterations.
iteration 301: trace = 2.653861270422227 (3.77456e-07% change)
linmin: converged after 5 iterations.
iteration 302: trace = 2.653861257326721 (4.93451e-07% change)
linmin: converged after 7 iterations.
iteration 303: trace = 2.65386123993884 (6.55192e-07% change)
linmin: converged after 5 iterations.
iteration 304: trace = 2.653861237092904 (1.07238e-07% change)
large trace change predicted (4.3725e-07%)
linmin: converged after 2 iterations.
iteration 305: trace = 2.653861225488783 (4.37254e-07% change)
linmin: converged after 16 iterations.
iteration 306: trace = 2.653861218875002 (2.49214e-07% change)
linmin: converged after 4 iterations.
iteration 307: trace = 2.653861216125898 (1.03589e-07% change)
large trace change predicted (3.37229e-07%)
linmin: converged after 4 iterations.
iteration 308: trace = 2.653861207176281 (3.3723e-07% change)
linmin: converged after 2 iterations.
iteration 309: trace = 2.653861195835507 (4.27331e-07% change)
linmin: converged after 4 iterations.
iteration 310: trace = 2.653861185390587 (3.93574e-07% change)
linmin: converged after 20 iterations.
iteration 311: trace = 2.653861181517468 (1.45943e-07% change)
large trace change predicted (4.49566e-07%)
linmin: converged after 12 iterations.
iteration 312: trace = 2.653861169586719 (4.49562e-07% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.653861159056564 (3.96786e-07% change)
linmin: converged after 4 iterations.
iteration 314: trace = 2.653861150358439 (3.27754e-07% change)
linmin: converged after 9 iterations.
iteration 315: trace = 2.653861134494232 (5.97778e-07% change)
linmin: converged after 6 iterations.
iteration 316: trace = 2.653861129798115 (1.76954e-07% change)
large trace change predicted (5.85662e-07%)
linmin: converged after 2 iterations.
iteration 317: trace = 2.653861114255452 (5.85662e-07% change)
linmin: converged after 4 iterations.
iteration 318: trace = 2.653861101105498 (4.95503e-07% change)
linmin: converged after 7 iterations.
iteration 319: trace = 2.653861097243125 (1.45538e-07% change)
large trace change predicted (4.93621e-07%)
linmin: converged after 2 iterations.
iteration 320: trace = 2.653861084143064 (4.93623e-07% change)
linmin: converged after 4 iterations.
iteration 321: trace = 2.65386107569902 (3.1818e-07% change)
linmin: converged after 3 iterations.
iteration 322: trace = 2.65386106993409 (2.17228e-07% change)
linmin: converged after 10 iterations.
iteration 323: trace = 2.653861063492937 (2.42709e-07% change)
linmin: converged after 6 iterations.
iteration 324: trace = 2.653861060759012 (1.03017e-07% change)
linmin: converged after 4 iterations.
iteration 325: trace = 2.65386105919477 (5.89421e-08% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.653861056255077 (1.1077e-07% change)
linmin: converged after 3 iterations.
iteration 327: trace = 2.653861055133477 (4.22629e-08% change)
linmin: converged after 3 iterations.
iteration 328: trace = 2.653861053319638 (6.83472e-08% change)
linmin: converged after 3 iterations.
iteration 329: trace = 2.653861051562423 (6.62135e-08% change)
linmin: converged after 4 iterations.
iteration 330: trace = 2.653861050695187 (3.26783e-08% change)
large trace change predicted (7.69361e-08%)
linmin: converged after 2 iterations.
iteration 331: trace = 2.65386104865341 (7.69361e-08% change)
linmin: converged after 6 iterations.
iteration 332: trace = 2.653861046058223 (9.77891e-08% change)
linmin: converged after 7 iterations.
iteration 333: trace = 2.65386104531301 (2.80803e-08% change)
large trace change predicted (1.40742e-07%)
linmin: converged after 4 iterations.
iteration 334: trace = 2.653861041577919 (1.40742e-07% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.653861040199561 (5.19379e-08% change)
large trace change predicted (1.39089e-07%)
linmin: converged after 2 iterations.
iteration 336: trace = 2.653861036508313 (1.3909e-07% change)
linmin: converged after 3 iterations.
iteration 337: trace = 2.653861031266001 (1.97535e-07% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.653861027833178 (1.29352e-07% change)
linmin: converged after 4 iterations.
iteration 339: trace = 2.653861026543587 (4.8593e-08% change)
large trace change predicted (1.67193e-07%)
linmin: converged after 2 iterations.
iteration 340: trace = 2.653861022106503 (1.67194e-07% change)
linmin: converged after 2 iterations.
iteration 341: trace = 2.653861019531463 (9.703e-08% change)
linmin: converged after 2 iterations.
iteration 342: trace = 2.653861018135178 (5.26133e-08% change)
linmin: converged after 12 iterations.
iteration 343: trace = 2.653861016177038 (7.37846e-08% change)
linmin: converged after 2 iterations.
iteration 344: trace = 2.653861014648154 (5.76098e-08% change)
linmin: converged after 4 iterations.
iteration 345: trace = 2.653861013532381 (4.20434e-08% change)
linmin: converged after 6 iterations.
iteration 346: trace = 2.653861011643799 (7.11635e-08% change)
linmin: converged after 22 iterations.
iteration 347: trace = 2.653861011277629 (1.37976e-08% change)
large trace change predicted (4.42078e-08%)
linmin: converged after 4 iterations.
iteration 348: trace = 2.653861010104421 (4.42076e-08% change)
linmin: converged after 33 iterations.
iteration 349: trace = 2.653861008396412 (6.43594e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.653861007754014 (2.42062e-08% change)
linmin: converged after 8 iterations.
iteration 351: trace = 2.653861006535373 (4.59195e-08% change)
linmin: converged after 4 iterations.
iteration 352: trace = 2.653861006230148 (1.15012e-08% change)
large trace change predicted (2.70606e-08%)
linmin: converged after 4 iterations.
iteration 353: trace = 2.653861005511998 (2.70606e-08% change)
linmin: converged after 2 iterations.
iteration 354: trace = 2.653861004289522 (4.6064e-08% change)
linmin: converged after 3 iterations.
iteration 355: trace = 2.653861003843425 (1.68094e-08% change)
large trace change predicted (5.15511e-08%)
linmin: converged after 3 iterations.
iteration 356: trace = 2.65386100247533 (5.15511e-08% change)
linmin: converged after 3 iterations.
iteration 357: trace = 2.653861000928064 (5.83025e-08% change)
linmin: converged after 2 iterations.
iteration 358: trace = 2.653861000299797 (2.36737e-08% change)
large trace change predicted (7.03634e-08%)
linmin: converged after 4 iterations.
iteration 359: trace = 2.653860998432446 (7.03635e-08% change)
linmin: converged after 2 iterations.
iteration 360: trace = 2.653860996431212 (7.54084e-08% change)
linmin: converged after 31 iterations.
iteration 361: trace = 2.653860995858524 (2.15794e-08% change)
large trace change predicted (7.98723e-08%)
linmin: converged after 3 iterations.
iteration 362: trace = 2.653860993738825 (7.98723e-08% change)
linmin: converged after 3 iterations.
iteration 363: trace = 2.653860991674018 (7.78039e-08% change)
linmin: converged after 4 iterations.
iteration 364: trace = 2.653860991143573 (1.99877e-08% change)
large trace change predicted (6.45968e-08%)
linmin: converged after 3 iterations.
iteration 365: trace = 2.653860989429274 (6.45964e-08% change)
linmin: converged after 3 iterations.
iteration 366: trace = 2.653860988471134 (3.61036e-08% change)
linmin: converged after 20 iterations.
iteration 367: trace = 2.653860988073512 (1.49828e-08% change)
large trace change predicted (3.7511e-08%)
linmin: converged after 3 iterations.
iteration 368: trace = 2.653860987078027 (3.75108e-08% change)
linmin: converged after 3 iterations.
iteration 369: trace = 2.653860986528396 (2.07106e-08% change)
linmin: converged after 21 iterations.
iteration 370: trace = 2.653860986091291 (1.64705e-08% change)
linmin: converged after 23 iterations.
iteration 371: trace = 2.653860985561272 (1.99716e-08% change)
linmin: converged after 29 iterations.
iteration 372: trace = 2.653860985383989 (6.68016e-09% change)
large trace change predicted (1.83114e-08%)
linmin: converged after 8 iterations.
iteration 373: trace = 2.653860984898031 (1.83114e-08% change)
linmin: converged after 3 iterations.
iteration 374: trace = 2.653860983994281 (3.40542e-08% change)
linmin: converged after 27 iterations.
iteration 375: trace = 2.653860983793793 (7.55456e-09% change)
large trace change predicted (3.92558e-08%)
linmin: converged after 17 iterations.
iteration 376: trace = 2.653860982751998 (3.92558e-08% change)
linmin: converged after 3 iterations.
iteration 377: trace = 2.653860981700241 (3.96312e-08% change)
linmin: converged after 3 iterations.
iteration 378: trace = 2.653860981342773 (1.34697e-08% change)
large trace change predicted (7.87387e-08%)
linmin: converged after 2 iterations.
iteration 379: trace = 2.653860979253156 (7.87387e-08% change)
linmin: converged after 4 iterations.
iteration 380: trace = 2.653860977426804 (6.88187e-08% change)
linmin: converged after 31 iterations.
iteration 381: trace = 2.653860976150081 (4.81081e-08% change)
linmin: converged after 2 iterations.
iteration 382: trace = 2.653860975561217 (2.2189e-08% change)
large trace change predicted (6.88371e-08%)
linmin: converged after 2 iterations.
iteration 383: trace = 2.653860973734375 (6.88371e-08% change)
linmin: converged after 4 iterations.
iteration 384: trace = 2.653860973144445 (2.22291e-08% change)
large trace change predicted (4.78977e-08%)
linmin: converged after 3 iterations.
iteration 385: trace = 2.653860971873308 (4.78976e-08% change)
linmin: converged after 18 iterations.
iteration 386: trace = 2.653860970464415 (5.30884e-08% change)
linmin: converged after 4 iterations.
iteration 387: trace = 2.653860970196491 (1.00956e-08% change)
large trace change predicted (2.94344e-08%)
linmin: converged after 2 iterations.
iteration 388: trace = 2.653860969415343 (2.94344e-08% change)
linmin: converged after 6 iterations.
iteration 389: trace = 2.653860969163304 (9.4971e-09% change)
linmin: converged after 3 iterations.
iteration 390: trace = 2.653860968721931 (1.66313e-08% change)
linmin: converged after 19 iterations.
iteration 391: trace = 2.653860968230719 (1.85093e-08% change)
linmin: converged after 4 iterations.
iteration 392: trace = 2.653860967829862 (1.51046e-08% change)
linmin: converged after 13 iterations.
iteration 393: trace = 2.65386096771474 (4.33791e-09% change)
large trace change predicted (1.12064e-08%)
linmin: converged after 21 iterations.
iteration 394: trace = 2.653860967417339 (1.12064e-08% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.653860967038607 (1.4271e-08% change)
linmin: converged after 8 iterations.
iteration 396: trace = 2.653860966876808 (6.09674e-09% change)
large trace change predicted (1.97519e-08%)
linmin: converged after 6 iterations.
iteration 397: trace = 2.653860966352622 (1.97518e-08% change)
linmin: converged after 2 iterations.
iteration 398: trace = 2.653860965948724 (1.52193e-08% change)
linmin: converged after 22 iterations.
iteration 399: trace = 2.653860965594904 (1.33323e-08% change)
linmin: converged after 13 iterations.
iteration 400: trace = 2.653860965067367 (1.98781e-08% change)
linmin: converged after 3 iterations.
iteration 401: trace = 2.653860964527554 (2.03407e-08% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.653860964359456 (6.33409e-09% change)
large trace change predicted (2.74226e-08%)
linmin: converged after 14 iterations.
iteration 403: trace = 2.653860963631696 (2.74227e-08% change)
linmin: converged after 5 iterations.
iteration 404: trace = 2.653860963365124 (1.00447e-08% change)
linmin: converged after 2 iterations.
iteration 405: trace = 2.653860963154491 (7.93685e-09% change)
large trace change predicted (1.78088e-08%)
linmin: converged after 4 iterations.
iteration 406: trace = 2.653860962681867 (1.78089e-08% change)
linmin: converged after 6 iterations.
iteration 407: trace = 2.653860962585241 (3.64095e-09% change)
large trace change predicted (1.08445e-08%)
linmin: converged after 7 iterations.
iteration 408: trace = 2.653860962297444 (1.08444e-08% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.653860962043317 (9.57574e-09% change)
linmin: converged after 15 iterations.
iteration 410: trace = 2.653860961998546 (1.68702e-09% change)
large trace change predicted (6.55028e-09%)
linmin: converged after 6 iterations.
iteration 411: trace = 2.653860961824712 (6.55022e-09% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.653860961729741 (3.57862e-09% change)
linmin: converged after 7 iterations.
iteration 413: trace = 2.653860961681473 (1.81877e-09% change)
large trace change predicted (4.09145e-09%)
linmin: converged after 16 iterations.
iteration 414: trace = 2.65386096157289 (4.09152e-09% change)
linmin: converged after 4 iterations.
iteration 415: trace = 2.653860961525542 (1.78411e-09% change)
linmin: converged after 6 iterations.
iteration 416: trace = 2.653860961441487 (3.16725e-09% change)
linmin: converged after 15 iterations.
iteration 417: trace = 2.653860961369957 (2.69531e-09% change)
linmin: converged after 7 iterations.
iteration 418: trace = 2.653860961265035 (3.95359e-09% change)
linmin: converged after 5 iterations.
iteration 419: trace = 2.653860961233102 (1.20325e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 420: trace = 2.65386096120336 (1.12069e-09% change)
large trace change predicted (3.0261e-09%)
linmin: converged after 5 iterations.
iteration 421: trace = 2.653860961123051 (3.02612e-09% change)
linmin: converged after 6 iterations.
iteration 422: trace = 2.653860961055666 (2.53916e-09% change)
linmin: converged after 14 iterations.
iteration 423: trace = 2.653860961002318 (2.01019e-09% change)
linmin: converged after 3 iterations.
iteration 424: trace = 2.65386096095672 (1.71817e-09% change)
linmin: converged after 4 iterations.
iteration 425: trace = 2.653860960878584 (2.94426e-09% change)
linmin: converged after 4 iterations.
iteration 426: trace = 2.653860960854664 (9.01311e-10% change)
large trace change predicted (3.79323e-09%)
linmin: converged after 15 iterations.
iteration 427: trace = 2.653860960753998 (3.79321e-09% change)
linmin: converged after 13 iterations.
iteration 428: trace = 2.653860960664026 (3.3902e-09% change)
linmin: converged after 4 iterations.
iteration 429: trace = 2.653860960621721 (1.59412e-09% change)
large trace change predicted (6.53699e-09%)
linmin: converged after 12 iterations.
iteration 430: trace = 2.653860960448237 (6.53704e-09% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.653860960384427 (2.40443e-09% change)
large trace change predicted (5.68384e-09%)
linmin: converged after 3 iterations.
iteration 432: trace = 2.653860960233586 (5.68382e-09% change)
linmin: converged after 2 iterations.
iteration 433: trace = 2.653860960021614 (7.98731e-09% change)
linmin: converged after 16 iterations.
iteration 434: trace = 2.653860959944636 (2.9006e-09% change)
large trace change predicted (5.95357e-09%)
linmin: converged after 2 iterations.
iteration 435: trace = 2.653860959786638 (5.95348e-09% change)
linmin: converged after 18 iterations.
iteration 436: trace = 2.653860959587209 (7.51469e-09% change)
linmin: converged after 6 iterations.
iteration 437: trace = 2.653860959529844 (2.16158e-09% change)
large trace change predicted (7.98842e-09%)
linmin: converged after 4 iterations.
iteration 438: trace = 2.65386095931784 (7.9885e-09% change)
linmin: converged after 3 iterations.
iteration 439: trace = 2.653860959204592 (4.26731e-09% change)
linmin: converged after 8 iterations.
iteration 440: trace = 2.653860959125839 (2.96747e-09% change)
linmin: converged after 19 iterations.
iteration 441: trace = 2.653860958990546 (5.09797e-09% change)
linmin: converged after 6 iterations.
iteration 442: trace = 2.653860958928653 (2.33219e-09% change)
linmin: converged after 14 iterations.
iteration 443: trace = 2.653860958835818 (3.49811e-09% change)
linmin: converged after 22 iterations.
iteration 444: trace = 2.653860958739894 (3.61451e-09% change)
linmin: converged after 4 iterations.
iteration 445: trace = 2.653860958691338 (1.82961e-09% change)
linmin: converged after 10 iterations.
iteration 446: trace = 2.653860958669929 (8.06732e-10% change)
large trace change predicted (3.09935e-09%)
linmin: converged after 15 iterations.
iteration 447: trace = 2.653860958587675 (3.09938e-09% change)
linmin: converged after 9 iterations.
iteration 448: trace = 2.653860958526129 (2.31914e-09% change)
linmin: converged after 5 iterations.
iteration 449: trace = 2.653860958498604 (1.03714e-09% change)
large trace change predicted (2.66022e-09%)
linmin: converged after 16 iterations.
iteration 450: trace = 2.653860958428007 (2.66019e-09% change)
linmin: converged after 19 iterations.
iteration 451: trace = 2.65386095832999 (3.69336e-09% change)
linmin: converged after 4 iterations.
iteration 452: trace = 2.653860958244165 (3.23397e-09% change)
linmin: converged after 21 iterations.
iteration 453: trace = 2.65386095817442 (2.62804e-09% change)
linmin: converged after 4 iterations.
iteration 454: trace = 2.653860958047139 (4.79608e-09% change)
linmin: converged after 3 iterations.
iteration 455: trace = 2.653860958009575 (1.41544e-09% change)
large trace change predicted (4.03173e-09%)
linmin: converged after 9 iterations.
iteration 456: trace = 2.653860957902578 (4.03175e-09% change)
linmin: converged after 16 iterations.
iteration 457: trace = 2.653860957804056 (3.71242e-09% change)
linmin: converged after 6 iterations.
iteration 458: trace = 2.653860957777444 (1.00273e-09% change)
large trace change predicted (3.00003e-09%)
linmin: converged after 4 iterations.
iteration 459: trace = 2.653860957697827 (3.00005e-09% change)
linmin: converged after 3 iterations.
iteration 460: trace = 2.653860957604774 (3.50633e-09% change)
linmin: converged after 10 iterations.
iteration 461: trace = 2.65386095759052 (5.37118e-10% change)
large trace change predicted (1.62956e-09%)
linmin: converged after 3 iterations.
iteration 462: trace = 2.653860957547272 (1.62961e-09% change)
linmin: converged after 3 iterations.
iteration 463: trace = 2.653860957508931 (1.44474e-09% change)
linmin: converged after 14 iterations.
iteration 464: trace = 2.653860957501165 (2.92606e-10% change)
large trace change predicted (1.00201e-09%)
linmin: converged after 4 iterations.
iteration 465: trace = 2.653860957474572 (1.00208e-09% change)
linmin: converged after 7 iterations.
iteration 466: trace = 2.653860957459918 (5.52145e-10% change)
linmin: converged after 15 iterations.
iteration 467: trace = 2.653860957450697 (3.47459e-10% change)
linmin: converged after 5 iterations.
iteration 468: trace = 2.653860957437653 (4.91536e-10% change)
linmin: converged after 6 iterations.
iteration 469: trace = 2.653860957429698 (2.99751e-10% change)
linmin: converged after 6 iterations.
iteration 470: trace = 2.653860957415155 (5.47979e-10% change)
linmin: converged after 2 iterations.
iteration 471: trace = 2.653860957395375 (7.45336e-10% change)
linmin: converged after 9 iterations.
iteration 472: trace = 2.653860957389842 (2.08485e-10% change)
large trace change predicted (9.08118e-10%)
linmin: converged after 6 iterations.
iteration 473: trace = 2.653860957365741 (9.08155e-10% change)
linmin: converged after 3 iterations.
iteration 474: trace = 2.653860957341259 (9.22512e-10% change)
linmin: converged after 6 iterations.
iteration 475: trace = 2.653860957332617 (3.25638e-10% change)
large trace change predicted (1.53152e-09%)
linmin: converged after 6 iterations.
iteration 476: trace = 2.653860957291968 (1.53169e-09% change)
linmin: converged after 3 iterations.
iteration 477: trace = 2.653860957263744 (1.06351e-09% change)
linmin: converged after 5 iterations.
iteration 478: trace = 2.653860957229201 (1.30161e-09% change)
linmin: converged after 4 iterations.
iteration 479: trace = 2.653860957221559 (2.87954e-10% change)
large trace change predicted (9.55324e-10%)
linmin: converged after 4 iterations.
iteration 480: trace = 2.653860957196203 (9.55444e-10% change)
linmin: converged after 6 iterations.
iteration 481: trace = 2.653860957171275 (9.39279e-10% change)
linmin: converged after 3 iterations.
iteration 482: trace = 2.653860957165084 (2.33301e-10% change)
large trace change predicted (8.92355e-10%)
linmin: converged after 4 iterations.
iteration 483: trace = 2.653860957141402 (8.92358e-10% change)
linmin: converged after 13 iterations.
iteration 484: trace = 2.653860957132954 (3.18325e-10% change)
linmin: converged after 3 iterations.
iteration 485: trace = 2.65386095712573 (2.72207e-10% change)
linmin: converged after 5 iterations.
iteration 486: trace = 2.653860957117032 (3.27763e-10% change)
linmin: converged after 7 iterations.
iteration 487: trace = 2.65386095711466 (8.93747e-11% change)
Finished solving for bands 1 to 10 after 487 iterations.
tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323
elapsed time for k point: 4.5631959438323975
solve_kpoint (0.333333,0.333333,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.767191359900659 (3.67887% change)
linmin: converged after 6 iterations.
iteration 2: trace = 2.669057064223724 (3.61037% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.6036257943754 (2.4819% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.589397473453344 (0.547978% change)
linmin: converged after 11 iterations.
iteration 5: trace = 2.564425798223957 (0.969054% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.56227099255405 (0.0840621% change)
large trace change predicted (0.183586%)
linmin: converged after 4 iterations.
iteration 7: trace = 2.557519451191472 (0.185615% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.553381147519061 (0.16194% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.551758112059498 (0.0635844% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.548676087501944 (0.120853% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.547042194197328 (0.0641281% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.545109356631263 (0.0759144% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.543744816460272 (0.0536286% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.543493514467712 (0.0098797% change)
large trace change predicted (0.0326856%)
linmin: converged after 4 iterations.
iteration 15: trace = 2.542654794913648 (0.0329805% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.542233369303156 (0.0165756% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.54198941747568 (0.00959643% change)
large trace change predicted (0.0296921%)
linmin: converged after 4 iterations.
iteration 18: trace = 2.541222802269298 (0.0301626% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.540916664973665 (0.0120476% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.540420029329066 (0.0195474% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.540069529024041 (0.0137979% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.539913073190493 (0.0061597% change)
large trace change predicted (0.0132669%)
linmin: converged after 3 iterations.
iteration 23: trace = 2.539574117819785 (0.013346% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.53932004151427 (0.0100052% change)
linmin: converged after 3 iterations.
iteration 25: trace = 2.539190024559254 (0.00512028% change)
large trace change predicted (0.0109152%)
linmin: converged after 3 iterations.
iteration 26: trace = 2.538911967599464 (0.0109512% change)
linmin: converged after 3 iterations.
iteration 27: trace = 2.538826425514922 (0.0033693% change)
large trace change predicted (0.00728319%)
linmin: converged after 3 iterations.
iteration 28: trace = 2.538640782043356 (0.00731244% change)
linmin: converged after 3 iterations.
iteration 29: trace = 2.538415985022709 (0.00885541% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.538329548016399 (0.00340521% change)
large trace change predicted (0.0126402%)
linmin: converged after 5 iterations.
iteration 31: trace = 2.538007524605835 (0.0126872% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.537917134122857 (0.00356154% change)
large trace change predicted (0.011859%)
linmin: converged after 4 iterations.
iteration 33: trace = 2.53761538877912 (0.0118902% change)
linmin: converged after 9 iterations.
iteration 34: trace = 2.537446537580793 (0.00665415% change)
linmin: converged after 4 iterations.
iteration 35: trace = 2.53733737654493 (0.0043021% change)
large trace change predicted (0.010611%)
linmin: converged after 3 iterations.
iteration 36: trace = 2.537067938271674 (0.0106195% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.536999338605757 (0.00270393% change)
large trace change predicted (0.0111008%)
linmin: converged after 6 iterations.
iteration 38: trace = 2.536717301342011 (0.0111176% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.536633649504292 (0.0032977% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.536477740090534 (0.0061465% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.536329147050624 (0.00585842% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.536150129902496 (0.00705837% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.535989187472811 (0.00634614% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.535865636101641 (0.00487204% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.535703129977313 (0.00640852% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.535652164602485 (0.00200993% change)
large trace change predicted (0.00754011%)
linmin: converged after 4 iterations.
iteration 47: trace = 2.535461020443776 (0.00753855% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.535421690439817 (0.00155121% change)
large trace change predicted (0.00506197%)
linmin: converged after 3 iterations.
iteration 49: trace = 2.535293406506491 (0.0050598% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.53521276212383 (0.00318092% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.535125004471859 (0.00346161% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.534950838492999 (0.00687035% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.534873055670356 (0.00306846% change)
large trace change predicted (0.00863854%)
linmin: converged after 4 iterations.
iteration 54: trace = 2.534655203323289 (0.00859458% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.534598318427521 (0.00224431% change)
large trace change predicted (0.00574944%)
linmin: converged after 4 iterations.
iteration 56: trace = 2.534453093072873 (0.00572988% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.534390064333639 (0.00248691% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.534330715143176 (0.00234178% change)
linmin: converged after 5 iterations.
iteration 59: trace = 2.534233925355487 (0.00381922% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.534207639918007 (0.00103722% change)
large trace change predicted (0.00309781%)
linmin: converged after 3 iterations.
iteration 61: trace = 2.534129177793587 (0.00309617% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.534095627014707 (0.00132397% change)
large trace change predicted (0.00285521%)
linmin: converged after 4 iterations.
iteration 63: trace = 2.534023338423374 (0.00285268% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.533957962271697 (0.00257997% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.533883349405139 (0.00294456% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.533772553908711 (0.00437265% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.533730619638856 (0.00165503% change)
linmin: converged after 3 iterations.
iteration 68: trace = 2.53365910557683 (0.00282252% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.533617326462081 (0.00164898% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 70: trace = 2.533588468127561 (0.00113902% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.533564612631144 (0.000941574% change)
linmin: converged after 5 iterations.
iteration 72: trace = 2.533539565827279 (0.000988604% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.533522851944827 (0.000659707% change)
large trace change predicted (0.00183858%)
linmin: converged after 3 iterations.
iteration 74: trace = 2.533476190230128 (0.00184179% change)
linmin: converged after 5 iterations.
iteration 75: trace = 2.533464116338791 (0.000476575% change)
large trace change predicted (0.0027524%)
linmin: converged after 3 iterations.
iteration 76: trace = 2.533394140496579 (0.0027621% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.533360152124861 (0.00134162% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.533332216909686 (0.0011027% change)
large trace change predicted (0.00246271%)
linmin: converged after 3 iterations.
iteration 79: trace = 2.533269550951909 (0.00247369% change)
linmin: converged after 4 iterations.
iteration 80: trace = 2.53321757351669 (0.00205181% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.533191311732387 (0.0010367% change)
large trace change predicted (0.00237279%)
linmin: converged after 4 iterations.
iteration 82: trace = 2.533130954946341 (0.00238267% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.533112979858068 (0.000709602% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.53308883005004 (0.000953369% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.533060203136364 (0.00113013% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.533052321591619 (0.000311148% change)
large trace change predicted (0.000755847%)
linmin: converged after 3 iterations.
iteration 87: trace = 2.533033164984285 (0.000756269% change)
linmin: converged after 3 iterations.
iteration 88: trace = 2.533014475231882 (0.000737844% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.533001356101632 (0.000517927% change)
linmin: converged after 5 iterations.
iteration 90: trace = 2.532976196411763 (0.000993281% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.532972346128114 (0.000152006% change)
large trace change predicted (0.000749754%)
linmin: converged after 4 iterations.
iteration 92: trace = 2.532953368903722 (0.000749211% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.53293491010202 (0.000728749% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.532926881902547 (0.000316953% change)
large trace change predicted (0.00178242%)
linmin: converged after 4 iterations.
iteration 95: trace = 2.532881914444002 (0.00177533% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.53285830046675 (0.000932301% change)
linmin: converged after 4 iterations.
iteration 97: trace = 2.532819784042777 (0.00152068% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.532786188462793 (0.00132642% change)
linmin: converged after 7 iterations.
iteration 99: trace = 2.532774276665058 (0.000470305% change)
large trace change predicted (0.00101682%)
linmin: converged after 4 iterations.
iteration 100: trace = 2.532748567800271 (0.00101505% change)
linmin: converged after 4 iterations.
iteration 101: trace = 2.532735567534749 (0.000513288% change)
linmin: converged after 8 iterations.
iteration 102: trace = 2.53272593241923 (0.000380424% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.532712921241087 (0.000513724% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.532704524689957 (0.000331525% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.532697408516166 (0.000280972% change)
large trace change predicted (0.000634814%)
linmin: converged after 3 iterations.
iteration 106: trace = 2.53268133815653 (0.000634518% change)
linmin: converged after 3 iterations.
iteration 107: trace = 2.532678232660709 (0.000122617% change)
large trace change predicted (0.00036579%)
linmin: converged after 7 iterations.
iteration 108: trace = 2.532668970184757 (0.000365719% change)
linmin: converged after 5 iterations.
iteration 109: trace = 2.5326625880607 (0.000251992% change)
linmin: converged after 3 iterations.
iteration 110: trace = 2.532659590556519 (0.000118354% change)
large trace change predicted (0.000484599%)
linmin: converged after 3 iterations.
iteration 111: trace = 2.532647313475453 (0.000484752% change)
linmin: converged after 10 iterations.
iteration 112: trace = 2.532643041072099 (0.000168693% change)
large trace change predicted (0.00119252%)
linmin: converged after 3 iterations.
iteration 113: trace = 2.532612820652287 (0.00119324% change)
linmin: converged after 3 iterations.
iteration 114: trace = 2.532592046086573 (0.000820285% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.532581446501127 (0.000418528% change)
large trace change predicted (0.00102425%)
linmin: converged after 3 iterations.
iteration 116: trace = 2.532555476505645 (0.00102544% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.532535088789213 (0.000805029% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.532524446015346 (0.000420243% change)
linmin: converged after 6 iterations.
iteration 119: trace = 2.532503170490255 (0.000840095% change)
linmin: converged after 4 iterations.
iteration 120: trace = 2.532499362408514 (0.000150368% change)
large trace change predicted (0.000429286%)
linmin: converged after 4 iterations.
iteration 121: trace = 2.532488488638697 (0.00042937% change)
linmin: converged after 3 iterations.
iteration 122: trace = 2.532482069110036 (0.000253487% change)
linmin: converged after 7 iterations.
iteration 123: trace = 2.532479968273738 (8.29557e-05% change)
large trace change predicted (0.000283652%)
linmin: converged after 3 iterations.
iteration 124: trace = 2.532472781286882 (0.000283793% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.532467453403485 (0.000210383% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.532465630899168 (7.19656e-05% change)
large trace change predicted (0.000443994%)
linmin: converged after 3 iterations.
iteration 127: trace = 2.532454369363875 (0.000444688% change)
linmin: converged after 3 iterations.
iteration 128: trace = 2.532452533273903 (7.25024e-05% change)
large trace change predicted (0.00033789%)
linmin: converged after 7 iterations.
iteration 129: trace = 2.532443971907508 (0.000338067% change)
linmin: converged after 3 iterations.
iteration 130: trace = 2.532434760005974 (0.000363756% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.532431818985799 (0.000116134% change)
large trace change predicted (0.000512254%)
linmin: converged after 4 iterations.
iteration 132: trace = 2.532418827376971 (0.000513011% change)
linmin: converged after 4 iterations.
iteration 133: trace = 2.53241349546081 (0.000210547% change)
large trace change predicted (0.000489508%)
linmin: converged after 4 iterations.
iteration 134: trace = 2.532401094202394 (0.000489702% change)
linmin: converged after 4 iterations.
iteration 135: trace = 2.532386160309443 (0.000589715% change)
linmin: converged after 5 iterations.
iteration 136: trace = 2.532381530256168 (0.000182834% change)
linmin: converged after 4 iterations.
iteration 137: trace = 2.532372862130214 (0.000342292% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.532367974423152 (0.000193009% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.532366678583778 (5.11711e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.5323656712027 (3.97802e-05% change)
linmin: converged after 10 iterations.
iteration 141: trace = 2.532363827393374 (7.28098e-05% change)
linmin: converged after 5 iterations.
iteration 142: trace = 2.532360999875571 (0.000111655% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.532359796989182 (4.75006e-05% change)
large trace change predicted (0.000180444%)
linmin: converged after 3 iterations.
iteration 144: trace = 2.532355227940748 (0.000180427% change)
linmin: converged after 4 iterations.
iteration 145: trace = 2.532352211255246 (0.000119126% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.532349362290318 (0.000112503% change)
large trace change predicted (0.000233004%)
linmin: converged after 3 iterations.
iteration 147: trace = 2.532343463407119 (0.000232941% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.532342115130471 (5.32423e-05% change)
large trace change predicted (0.000204419%)
linmin: converged after 3 iterations.
iteration 149: trace = 2.532336939884447 (0.000204366% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.53233335996828 (0.000141368% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.532332046545821 (5.18661e-05% change)
large trace change predicted (0.000151303%)
linmin: converged after 3 iterations.
iteration 152: trace = 2.532328217478827 (0.000151207% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.532325426354618 (0.00011022% change)
linmin: converged after 4 iterations.
iteration 154: trace = 2.532323591078181 (7.2474e-05% change)
linmin: converged after 6 iterations.
iteration 155: trace = 2.532320460236503 (0.000123635% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.532319684421553 (3.06365e-05% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.53231850448854 (4.6595e-05% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.532316968026178 (6.06742e-05% change)
linmin: converged after 5 iterations.
iteration 159: trace = 2.532316667577852 (1.18646e-05% change)
large trace change predicted (5.68741e-05%)
linmin: converged after 5 iterations.
iteration 160: trace = 2.532315227301718 (5.68758e-05% change)
linmin: converged after 10 iterations.
iteration 161: trace = 2.532314452183978 (3.06091e-05% change)
linmin: converged after 4 iterations.
iteration 162: trace = 2.532313521937153 (3.67351e-05% change)
large trace change predicted (8.54363e-05%)
linmin: converged after 3 iterations.
iteration 163: trace = 2.532311358502254 (8.54332e-05% change)
linmin: converged after 9 iterations.
iteration 164: trace = 2.532309834643512 (6.01766e-05% change)
linmin: converged after 2 iterations.
iteration 165: trace = 2.532308435807828 (5.52395e-05% change)
large trace change predicted (0.000170648%)
linmin: converged after 3 iterations.
iteration 166: trace = 2.532304113761198 (0.000170676% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.532303035533439 (4.25789e-05% change)
large trace change predicted (0.000112857%)
linmin: converged after 4 iterations.
iteration 168: trace = 2.532300177212031 (0.000112874% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.532297956753474 (8.76855e-05% change)
linmin: converged after 2 iterations.
iteration 170: trace = 2.532297190420216 (3.02624e-05% change)
large trace change predicted (6.61834e-05%)
linmin: converged after 3 iterations.
iteration 171: trace = 2.532295514663681 (6.61754e-05% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.53229378477196 (6.83132e-05% change)
linmin: converged after 3 iterations.
iteration 173: trace = 2.53229233940271 (5.70775e-05% change)
linmin: converged after 3 iterations.
iteration 174: trace = 2.532290202829727 (8.43731e-05% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.532289883242941 (1.26205e-05% change)
large trace change predicted (5.84582e-05%)
linmin: converged after 3 iterations.
iteration 176: trace = 2.532288402834586 (5.84613e-05% change)
linmin: converged after 4 iterations.
iteration 177: trace = 2.532287712160898 (2.72747e-05% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.532287402678403 (1.22215e-05% change)
large trace change predicted (4.26133e-05%)
linmin: converged after 3 iterations.
iteration 179: trace = 2.532286323488426 (4.26172e-05% change)
linmin: converged after 3 iterations.
iteration 180: trace = 2.532285455180427 (3.42895e-05% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.532284512810181 (3.72142e-05% change)
large trace change predicted (0.000114098%)
linmin: converged after 3 iterations.
iteration 182: trace = 2.532281620534402 (0.000114216% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.532280807946858 (3.20892e-05% change)
large trace change predicted (0.000118636%)
linmin: converged after 4 iterations.
iteration 184: trace = 2.532277799570789 (0.000118801% change)
linmin: converged after 4 iterations.
iteration 185: trace = 2.532275098425584 (0.000106669% change)
linmin: converged after 4 iterations.
iteration 186: trace = 2.532274133967233 (3.80866e-05% change)
large trace change predicted (0.00010206%)
linmin: converged after 14 iterations.
iteration 187: trace = 2.532271546585648 (0.000102176% change)
linmin: converged after 4 iterations.
iteration 188: trace = 2.532270062907924 (5.85908e-05% change)
linmin: converged after 5 iterations.
iteration 189: trace = 2.532268229544497 (7.24e-05% change)
linmin: converged after 3 iterations.
iteration 190: trace = 2.532265425303058 (0.00011074% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.532264922135603 (1.98703e-05% change)
large trace change predicted (5.89621e-05%)
linmin: converged after 3 iterations.
iteration 192: trace = 2.53226342902136 (5.89636e-05% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.532262589103189 (3.31687e-05% change)
linmin: converged after 5 iterations.
iteration 194: trace = 2.532262136739078 (1.7864e-05% change)
large trace change predicted (4.74429e-05%)
linmin: converged after 4 iterations.
iteration 195: trace = 2.53226093556069 (4.7435e-05% change)
linmin: converged after 3 iterations.
iteration 196: trace = 2.532260514572423 (1.6625e-05% change)
large trace change predicted (5.60629e-05%)
linmin: converged after 4 iterations.
iteration 197: trace = 2.532259095148723 (5.60536e-05% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.532257795808561 (5.13115e-05% change)
linmin: converged after 16 iterations.
iteration 199: trace = 2.532257349839052 (1.76115e-05% change)
large trace change predicted (5.00381e-05%)
linmin: converged after 5 iterations.
iteration 200: trace = 2.532256083315164 (5.00156e-05% change)
linmin: converged after 4 iterations.
iteration 201: trace = 2.53225471311544 (5.41099e-05% change)
linmin: converged after 5 iterations.
iteration 202: trace = 2.532254055080478 (2.59861e-05% change)
large trace change predicted (7.93994e-05%)
linmin: converged after 4 iterations.
iteration 203: trace = 2.532252046538988 (7.93184e-05% change)
linmin: converged after 4 iterations.
iteration 204: trace = 2.532251132078102 (3.61126e-05% change)
large trace change predicted (8.34618e-05%)
linmin: converged after 5 iterations.
iteration 205: trace = 2.532249020689084 (8.338e-05% change)
linmin: converged after 14 iterations.
iteration 206: trace = 2.532247674082002 (5.31783e-05% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.532247142085046 (2.10089e-05% change)
linmin: converged after 5 iterations.
iteration 208: trace = 2.532246410139991 (2.8905e-05% change)
linmin: converged after 4 iterations.
iteration 209: trace = 2.532245665239943 (2.94166e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 210: trace = 2.532245345449662 (1.26287e-05% change)
linmin: converged after 9 iterations.
iteration 211: trace = 2.532244899809545 (1.75986e-05% change)
linmin: converged after 2 iterations.
iteration 212: trace = 2.532244695798735 (8.05652e-06% change)
large trace change predicted (1.94182e-05%)
linmin: converged after 3 iterations.
iteration 213: trace = 2.532244204011934 (1.9421e-05% change)
linmin: converged after 3 iterations.
iteration 214: trace = 2.53224352686151 (2.67411e-05% change)
linmin: converged after 3 iterations.
iteration 215: trace = 2.532243327629037 (7.86782e-06% change)
large trace change predicted (3.44148e-05%)
linmin: converged after 3 iterations.
iteration 216: trace = 2.532242455904719 (3.4425e-05% change)
linmin: converged after 3 iterations.
iteration 217: trace = 2.532241893073738 (2.22266e-05% change)
linmin: converged after 4 iterations.
iteration 218: trace = 2.532241540381099 (1.39281e-05% change)
linmin: converged after 4 iterations.
iteration 219: trace = 2.532240847812051 (2.735e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.532240502077886 (1.36533e-05% change)
linmin: converged after 4 iterations.
iteration 221: trace = 2.532239869330575 (2.49876e-05% change)
linmin: converged after 6 iterations.
iteration 222: trace = 2.532239139337781 (2.8828e-05% change)
linmin: converged after 4 iterations.
iteration 223: trace = 2.532238929368865 (8.29183e-06% change)
large trace change predicted (2.61701e-05%)
linmin: converged after 4 iterations.
iteration 224: trace = 2.532238266463561 (2.61786e-05% change)
linmin: converged after 3 iterations.
iteration 225: trace = 2.53223793257309 (1.31856e-05% change)
linmin: converged after 4 iterations.
iteration 226: trace = 2.532237643121048 (1.14307e-05% change)
linmin: converged after 3 iterations.
iteration 227: trace = 2.53223733580369 (1.21362e-05% change)
linmin: converged after 4 iterations.
iteration 228: trace = 2.532237055924255 (1.10527e-05% change)
linmin: converged after 5 iterations.
iteration 229: trace = 2.532236979449607 (3.02004e-06% change)
large trace change predicted (1.51042e-05%)
linmin: converged after 5 iterations.
iteration 230: trace = 2.53223659699959 (1.51032e-05% change)
linmin: converged after 12 iterations.
iteration 231: trace = 2.532236530951999 (2.60827e-06% change)
large trace change predicted (1.41746e-05%)
linmin: converged after 5 iterations.
iteration 232: trace = 2.532236172095298 (1.41715e-05% change)
linmin: converged after 4 iterations.
iteration 233: trace = 2.532235854177413 (1.25548e-05% change)
linmin: converged after 4 iterations.
iteration 234: trace = 2.532235719088886 (5.33475e-06% change)
large trace change predicted (1.82457e-05%)
linmin: converged after 5 iterations.
iteration 235: trace = 2.532235257295151 (1.82366e-05% change)
linmin: converged after 4 iterations.
iteration 236: trace = 2.532234707562479 (2.17094e-05% change)
linmin: converged after 4 iterations.
iteration 237: trace = 2.532234531669597 (6.94615e-06% change)
large trace change predicted (1.71871e-05%)
linmin: converged after 6 iterations.
iteration 238: trace = 2.532234096642287 (1.71796e-05% change)
linmin: converged after 6 iterations.
iteration 239: trace = 2.532233937626063 (6.27968e-06% change)
linmin: converged after 3 iterations.
iteration 240: trace = 2.532233784020798 (6.066e-06% change)
linmin: converged after 4 iterations.
iteration 241: trace = 2.532233579794711 (8.06506e-06% change)
linmin: converged after 10 iterations.
iteration 242: trace = 2.532233484638245 (3.75781e-06% change)
linmin: converged after 4 iterations.
iteration 243: trace = 2.53223335469467 (5.13158e-06% change)
linmin: converged after 10 iterations.
iteration 244: trace = 2.53223313150978 (8.81376e-06% change)
linmin: converged after 8 iterations.
iteration 245: trace = 2.532233101193213 (1.19723e-06% change)
large trace change predicted (6.51414e-06%)
linmin: converged after 5 iterations.
iteration 246: trace = 2.532232936256826 (6.51348e-06% change)
linmin: converged after 6 iterations.
iteration 247: trace = 2.532232878239224 (2.29116e-06% change)
linmin: converged after 6 iterations.
iteration 248: trace = 2.532232795963472 (3.24914e-06% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.532232690068687 (4.18187e-06% change)
linmin: converged after 3 iterations.
iteration 250: trace = 2.532232634361 (2.19994e-06% change)
large trace change predicted (6.51456e-06%)
linmin: converged after 4 iterations.
iteration 251: trace = 2.532232469379299 (6.51527e-06% change)
linmin: converged after 13 iterations.
iteration 252: trace = 2.532232171498215 (1.17636e-05% change)
linmin: converged after 4 iterations.
iteration 253: trace = 2.532232090922851 (3.18199e-06% change)
large trace change predicted (1.30667e-05%)
linmin: converged after 7 iterations.
iteration 254: trace = 2.532231760069726 (1.30657e-05% change)
linmin: converged after 9 iterations.
iteration 255: trace = 2.532231539224154 (8.72138e-06% change)
linmin: converged after 4 iterations.
iteration 256: trace = 2.532231468457076 (2.79465e-06% change)
large trace change predicted (5.60886e-06%)
linmin: converged after 3 iterations.
iteration 257: trace = 2.532231326428751 (5.60882e-06% change)
linmin: converged after 2 iterations.
iteration 258: trace = 2.532231207253 (4.70635e-06% change)
linmin: converged after 17 iterations.
iteration 259: trace = 2.532231177541257 (1.17334e-06% change)
large trace change predicted (4.44584e-06%)
linmin: converged after 16 iterations.
iteration 260: trace = 2.532231064958411 (4.44599e-06% change)
linmin: converged after 5 iterations.
iteration 261: trace = 2.532230986862467 (3.08408e-06% change)
linmin: converged after 12 iterations.
iteration 262: trace = 2.5322309632879 (9.3098e-07% change)
large trace change predicted (3.2661e-06%)
linmin: converged after 7 iterations.
iteration 263: trace = 2.532230880576092 (3.26636e-06% change)
linmin: converged after 2 iterations.
iteration 264: trace = 2.532230807471777 (2.88695e-06% change)
linmin: converged after 6 iterations.
iteration 265: trace = 2.532230779813869 (1.09223e-06% change)
large trace change predicted (6.33723e-06%)
linmin: converged after 3 iterations.
iteration 266: trace = 2.532230619326621 (6.33778e-06% change)
linmin: converged after 26 iterations.
iteration 267: trace = 2.532230594093199 (9.9649e-07% change)
large trace change predicted (6.44572e-06%)
linmin: converged after 6 iterations.
iteration 268: trace = 2.532230430863963 (6.44607e-06% change)
linmin: converged after 5 iterations.
iteration 269: trace = 2.53223033140914 (3.92756e-06% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.532230289677092 (1.64804e-06% change)
large trace change predicted (6.77669e-06%)
linmin: converged after 3 iterations.
iteration 271: trace = 2.532230118058079 (6.77739e-06% change)
linmin: converged after 9 iterations.
iteration 272: trace = 2.532229989424859 (5.07984e-06% change)
linmin: converged after 4 iterations.
iteration 273: trace = 2.532229883447351 (4.18515e-06% change)
linmin: converged after 4 iterations.
iteration 274: trace = 2.532229738918634 (5.70757e-06% change)
linmin: converged after 4 iterations.
iteration 275: trace = 2.532229696400672 (1.67907e-06% change)
large trace change predicted (3.58218e-06%)
linmin: converged after 3 iterations.
iteration 276: trace = 2.532229605686134 (3.5824e-06% change)
linmin: converged after 19 iterations.
iteration 277: trace = 2.532229549961051 (2.20063e-06% change)
linmin: converged after 4 iterations.
iteration 278: trace = 2.532229529455688 (8.09775e-07% change)
large trace change predicted (4.12313e-06%)
linmin: converged after 21 iterations.
iteration 279: trace = 2.532229425049344 (4.1231e-06% change)
resetting CG direction...
linmin: converged after 17 iterations.
iteration 280: trace = 2.532229362204813 (2.48179e-06% change)
linmin: converged after 4 iterations.
iteration 281: trace = 2.532229350153655 (4.75911e-07% change)
large trace change predicted (1.67039e-06%)
linmin: converged after 3 iterations.
iteration 282: trace = 2.532229307855861 (1.67038e-06% change)
linmin: converged after 17 iterations.
iteration 283: trace = 2.532229254072699 (2.12395e-06% change)
linmin: converged after 7 iterations.
iteration 284: trace = 2.532229231474435 (8.92426e-07% change)
large trace change predicted (3.1065e-06%)
linmin: converged after 6 iterations.
iteration 285: trace = 2.532229152810758 (3.1065e-06% change)
linmin: converged after 4 iterations.
iteration 286: trace = 2.532229109479215 (1.7112e-06% change)
large trace change predicted (3.49746e-06%)
linmin: converged after 6 iterations.
iteration 287: trace = 2.532229020913346 (3.49755e-06% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.532228933740109 (3.44255e-06% change)
linmin: converged after 12 iterations.
iteration 289: trace = 2.53222889713511 (1.44556e-06% change)
linmin: converged after 8 iterations.
iteration 290: trace = 2.532228825799343 (2.81711e-06% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.532228755625285 (2.77124e-06% change)
linmin: converged after 6 iterations.
iteration 292: trace = 2.532228736767303 (7.44719e-07% change)
large trace change predicted (3.00507e-06%)
linmin: converged after 7 iterations.
iteration 293: trace = 2.532228660678591 (3.00481e-06% change)
linmin: converged after 4 iterations.
iteration 294: trace = 2.532228623543513 (1.4665e-06% change)
linmin: converged after 6 iterations.
iteration 295: trace = 2.532228592945206 (1.20835e-06% change)
linmin: converged after 4 iterations.
iteration 296: trace = 2.53222856418664 (1.1357e-06% change)
linmin: converged after 9 iterations.
iteration 297: trace = 2.532228553659108 (4.15742e-07% change)
large trace change predicted (9.04462e-07%)
linmin: converged after 3 iterations.
iteration 298: trace = 2.532228530756682 (9.04438e-07% change)
linmin: converged after 4 iterations.
iteration 299: trace = 2.532228493908192 (1.45518e-06% change)
linmin: converged after 5 iterations.
iteration 300: trace = 2.532228484872204 (3.56839e-07% change)
large trace change predicted (1.54468e-06%)
linmin: converged after 3 iterations.
iteration 301: trace = 2.532228445757557 (1.54467e-06% change)
linmin: converged after 8 iterations.
iteration 302: trace = 2.532228398579518 (1.8631e-06% change)
linmin: converged after 3 iterations.
iteration 303: trace = 2.532228375061216 (9.28759e-07% change)
large trace change predicted (2.40083e-06%)
linmin: converged after 3 iterations.
iteration 304: trace = 2.532228314269831 (2.40071e-06% change)
linmin: converged after 15 iterations.
iteration 305: trace = 2.532228278825191 (1.39974e-06% change)
linmin: converged after 6 iterations.
iteration 306: trace = 2.532228231187256 (1.88127e-06% change)
linmin: converged after 8 iterations.
iteration 307: trace = 2.532228155039439 (3.00715e-06% change)
linmin: converged after 4 iterations.
iteration 308: trace = 2.532228098603846 (2.22869e-06% change)
linmin: converged after 16 iterations.
iteration 309: trace = 2.532228090223597 (3.30944e-07% change)
large trace change predicted (1.12239e-06%)
linmin: converged after 4 iterations.
iteration 310: trace = 2.532228061802467 (1.12238e-06% change)
linmin: converged after 5 iterations.
iteration 311: trace = 2.532228037889213 (9.44356e-07% change)
linmin: converged after 4 iterations.
iteration 312: trace = 2.532228030532646 (2.90518e-07% change)
large trace change predicted (1.35133e-06%)
linmin: converged after 8 iterations.
iteration 313: trace = 2.532227996313136 (1.35136e-06% change)
linmin: converged after 5 iterations.
iteration 314: trace = 2.532227981769021 (5.7436e-07% change)
large trace change predicted (1.58129e-06%)
linmin: converged after 13 iterations.
iteration 315: trace = 2.532227941725563 (1.58135e-06% change)
linmin: converged after 4 iterations.
iteration 316: trace = 2.532227904101084 (1.48583e-06% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.532227887641151 (6.50018e-07% change)
large trace change predicted (1.68426e-06%)
linmin: converged after 5 iterations.
iteration 318: trace = 2.532227844987628 (1.68443e-06% change)
linmin: converged after 4 iterations.
iteration 319: trace = 2.532227801022949 (1.73621e-06% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.532227786637012 (5.68114e-07% change)
large trace change predicted (2.19015e-06%)
linmin: converged after 4 iterations.
iteration 321: trace = 2.532227731169816 (2.19045e-06% change)
linmin: converged after 5 iterations.
iteration 322: trace = 2.532227706764721 (9.6378e-07% change)
large trace change predicted (1.98688e-06%)
linmin: converged after 5 iterations.
iteration 323: trace = 2.532227656443491 (1.98723e-06% change)
linmin: converged after 3 iterations.
iteration 324: trace = 2.532227600649281 (2.20336e-06% change)
linmin: converged after 20 iterations.
iteration 325: trace = 2.532227572868166 (1.0971e-06% change)
linmin: converged after 4 iterations.
iteration 326: trace = 2.532227558116004 (5.82576e-07% change)
large trace change predicted (1.47491e-06%)
linmin: converged after 6 iterations.
iteration 327: trace = 2.532227520766182 (1.47498e-06% change)
linmin: converged after 4 iterations.
iteration 328: trace = 2.53222751507689 (2.24675e-07% change)
large trace change predicted (1.10161e-06%)
linmin: converged after 7 iterations.
iteration 329: trace = 2.532227487181792 (1.1016e-06% change)
linmin: converged after 4 iterations.
iteration 330: trace = 2.532227467600348 (7.73289e-07% change)
linmin: converged after 5 iterations.
iteration 331: trace = 2.532227456960113 (4.20193e-07% change)
large trace change predicted (1.04908e-06%)
linmin: converged after 5 iterations.
iteration 332: trace = 2.532227430395588 (1.04906e-06% change)
linmin: converged after 6 iterations.
iteration 333: trace = 2.532227394851205 (1.40368e-06% change)
linmin: converged after 14 iterations.
iteration 334: trace = 2.532227385067134 (3.86382e-07% change)
large trace change predicted (2.53429e-06%)
linmin: converged after 7 iterations.
iteration 335: trace = 2.532227320902832 (2.53391e-06% change)
linmin: converged after 5 iterations.
iteration 336: trace = 2.532227305219125 (6.19364e-07% change)
large trace change predicted (1.72038e-06%)
linmin: converged after 17 iterations.
iteration 337: trace = 2.532227261657944 (1.72027e-06% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.532227223570452 (1.50411e-06% change)
linmin: converged after 4 iterations.
iteration 339: trace = 2.532227213967092 (3.79246e-07% change)
large trace change predicted (1.16087e-06%)
linmin: converged after 5 iterations.
iteration 340: trace = 2.53222718457211 (1.16084e-06% change)
linmin: converged after 5 iterations.
iteration 341: trace = 2.532227156275118 (1.11747e-06% change)
linmin: converged after 9 iterations.
iteration 342: trace = 2.532227148450816 (3.08989e-07% change)
large trace change predicted (9.66064e-07%)
linmin: converged after 5 iterations.
iteration 343: trace = 2.532227123988557 (9.66037e-07% change)
linmin: converged after 5 iterations.
iteration 344: trace = 2.532227107010383 (6.70484e-07% change)
linmin: converged after 4 iterations.
iteration 345: trace = 2.532227095890339 (4.39141e-07% change)
linmin: converged after 8 iterations.
iteration 346: trace = 2.532227080349761 (6.13712e-07% change)
linmin: converged after 4 iterations.
iteration 347: trace = 2.532227076250968 (1.61865e-07% change)
linmin: converged after 2 iterations.
iteration 348: trace = 2.532227068112935 (3.21378e-07% change)
large trace change predicted (8.70544e-07%)
linmin: converged after 9 iterations.
iteration 349: trace = 2.532227046068919 (8.70539e-07% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 350: trace = 2.532227041253952 (1.90148e-07% change)
large trace change predicted (5.24462e-07%)
linmin: converged after 3 iterations.
iteration 351: trace = 2.532227027973468 (5.24459e-07% change)
linmin: converged after 4 iterations.
iteration 352: trace = 2.532227020012078 (3.14403e-07% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.532227015957442 (1.60121e-07% change)
large trace change predicted (4.28601e-07%)
linmin: converged after 7 iterations.
iteration 354: trace = 2.532227005104187 (4.28605e-07% change)
linmin: converged after 13 iterations.
iteration 355: trace = 2.532226996652225 (3.33776e-07% change)
linmin: converged after 8 iterations.
iteration 356: trace = 2.532226987561438 (3.59004e-07% change)
linmin: converged after 8 iterations.
iteration 357: trace = 2.532226969413104 (7.16695e-07% change)
linmin: converged after 4 iterations.
iteration 358: trace = 2.532226965678333 (1.4749e-07% change)
large trace change predicted (5.70213e-07%)
linmin: converged after 11 iterations.
iteration 359: trace = 2.532226951238592 (5.70239e-07% change)
linmin: converged after 4 iterations.
iteration 360: trace = 2.532226936960811 (5.63843e-07% change)
linmin: converged after 21 iterations.
iteration 361: trace = 2.53222693253943 (1.74604e-07% change)
large trace change predicted (7.64604e-07%)
linmin: converged after 5 iterations.
iteration 362: trace = 2.532226913176651 (7.64654e-07% change)
linmin: converged after 2 iterations.
iteration 363: trace = 2.532226900874408 (4.85827e-07% change)
linmin: converged after 7 iterations.
iteration 364: trace = 2.532226889402457 (4.53038e-07% change)
linmin: converged after 6 iterations.
iteration 365: trace = 2.532226871634764 (7.01663e-07% change)
linmin: converged after 15 iterations.
iteration 366: trace = 2.532226865149388 (2.56114e-07% change)
linmin: converged after 4 iterations.
iteration 367: trace = 2.532226858083303 (2.79046e-07% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.532226849760441 (3.28678e-07% change)
linmin: converged after 4 iterations.
iteration 369: trace = 2.532226846290662 (1.37025e-07% change)
linmin: converged after 10 iterations.
iteration 370: trace = 2.532226840160222 (2.42097e-07% change)
linmin: converged after 4 iterations.
iteration 371: trace = 2.53222683497562 (2.04745e-07% change)
linmin: converged after 4 iterations.
iteration 372: trace = 2.532226831176658 (1.50025e-07% change)
linmin: converged after 22 iterations.
iteration 373: trace = 2.532226823812367 (2.90823e-07% change)
linmin: converged after 4 iterations.
iteration 374: trace = 2.532226820168667 (1.43893e-07% change)
linmin: converged after 2 iterations.
iteration 375: trace = 2.532226817017566 (1.2444e-07% change)
large trace change predicted (4.75244e-07%)
linmin: converged after 4 iterations.
iteration 376: trace = 2.532226804984404 (4.75201e-07% change)
linmin: converged after 9 iterations.
iteration 377: trace = 2.532226793615652 (4.48963e-07% change)
linmin: converged after 4 iterations.
iteration 378: trace = 2.532226791481499 (8.42797e-08% change)
large trace change predicted (3.01751e-07%)
linmin: converged after 13 iterations.
iteration 379: trace = 2.532226783840986 (3.01731e-07% change)
linmin: converged after 5 iterations.
iteration 380: trace = 2.53222677825189 (2.20719e-07% change)
linmin: converged after 11 iterations.
iteration 381: trace = 2.532226776198825 (8.10774e-08% change)
large trace change predicted (3.09645e-07%)
linmin: converged after 4 iterations.
iteration 382: trace = 2.532226768358376 (3.09627e-07% change)
linmin: converged after 4 iterations.
iteration 383: trace = 2.532226764050359 (1.70128e-07% change)
linmin: converged after 6 iterations.
iteration 384: trace = 2.532226761490044 (1.01109e-07% change)
large trace change predicted (2.35328e-07%)
linmin: converged after 3 iterations.
iteration 385: trace = 2.532226755531154 (2.35322e-07% change)
linmin: converged after 4 iterations.
iteration 386: trace = 2.532226754606565 (3.65129e-08% change)
large trace change predicted (1.73932e-07%)
linmin: converged after 13 iterations.
iteration 387: trace = 2.532226750202272 (1.7393e-07% change)
linmin: converged after 4 iterations.
iteration 388: trace = 2.532226748583039 (6.3945e-08% change)
linmin: converged after 6 iterations.
iteration 389: trace = 2.532226746769836 (7.16051e-08% change)
linmin: converged after 4 iterations.
iteration 390: trace = 2.532226743674155 (1.22251e-07% change)
linmin: converged after 7 iterations.
iteration 391: trace = 2.532226742822863 (3.36183e-08% change)
large trace change predicted (1.553e-07%)
linmin: converged after 7 iterations.
iteration 392: trace = 2.532226738890259 (1.55302e-07% change)
linmin: converged after 12 iterations.
iteration 393: trace = 2.532226733157526 (2.26391e-07% change)
linmin: converged after 5 iterations.
iteration 394: trace = 2.532226731881656 (5.03853e-08% change)
large trace change predicted (2.38712e-07%)
linmin: converged after 16 iterations.
iteration 395: trace = 2.532226725836817 (2.38716e-07% change)
linmin: converged after 10 iterations.
iteration 396: trace = 2.532226721303406 (1.79029e-07% change)
linmin: converged after 3 iterations.
iteration 397: trace = 2.532226720021591 (5.06201e-08% change)
large trace change predicted (1.64248e-07%)
linmin: converged after 7 iterations.
iteration 398: trace = 2.53222671586235 (1.64252e-07% change)
linmin: converged after 18 iterations.
iteration 399: trace = 2.532226712848004 (1.19039e-07% change)
linmin: converged after 10 iterations.
iteration 400: trace = 2.532226711845361 (3.95953e-08% change)
large trace change predicted (8.97363e-08%)
linmin: converged after 13 iterations.
iteration 401: trace = 2.532226709573011 (8.97372e-08% change)
linmin: converged after 8 iterations.
iteration 402: trace = 2.532226708190714 (5.45882e-08% change)
linmin: converged after 4 iterations.
iteration 403: trace = 2.532226707175363 (4.00972e-08% change)
linmin: converged after 6 iterations.
iteration 404: trace = 2.532226705422322 (6.92292e-08% change)
linmin: converged after 4 iterations.
iteration 405: trace = 2.532226703386372 (8.04016e-08% change)
linmin: converged after 15 iterations.
iteration 406: trace = 2.532226702543767 (3.32753e-08% change)
large trace change predicted (1.27052e-07%)
linmin: converged after 7 iterations.
iteration 407: trace = 2.532226699326492 (1.27053e-07% change)
linmin: converged after 7 iterations.
iteration 408: trace = 2.53222669796431 (5.37939e-08% change)
linmin: converged after 7 iterations.
iteration 409: trace = 2.53222669554264 (9.5634e-08% change)
linmin: converged after 6 iterations.
iteration 410: trace = 2.53222669284764 (1.06428e-07% change)
linmin: converged after 11 iterations.
iteration 411: trace = 2.532226691335092 (5.97319e-08% change)
large trace change predicted (1.24133e-07%)
linmin: converged after 4 iterations.
iteration 412: trace = 2.532226688191721 (1.24135e-07% change)
linmin: converged after 14 iterations.
iteration 413: trace = 2.532226684404653 (1.49555e-07% change)
linmin: converged after 4 iterations.
iteration 414: trace = 2.532226683623242 (3.08587e-08% change)
large trace change predicted (1.27284e-07%)
linmin: converged after 5 iterations.
iteration 415: trace = 2.532226680400108 (1.27285e-07% change)
linmin: converged after 4 iterations.
iteration 416: trace = 2.532226679110584 (5.09245e-08% change)
linmin: converged after 8 iterations.
iteration 417: trace = 2.532226677977577 (4.47435e-08% change)
linmin: converged after 3 iterations.
iteration 418: trace = 2.532226676546075 (5.65314e-08% change)
linmin: converged after 4 iterations.
iteration 419: trace = 2.53222667592058 (2.47014e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 420: trace = 2.532226675493463 (1.68673e-08% change)
large trace change predicted (3.87553e-08%)
linmin: converged after 6 iterations.
iteration 421: trace = 2.532226674512091 (3.87553e-08% change)
linmin: converged after 6 iterations.
iteration 422: trace = 2.532226673922648 (2.32776e-08% change)
linmin: converged after 4 iterations.
iteration 423: trace = 2.532226672942695 (3.86992e-08% change)
large trace change predicted (8.20289e-08%)
linmin: converged after 4 iterations.
iteration 424: trace = 2.53222667086553 (8.20292e-08% change)
linmin: converged after 4 iterations.
iteration 425: trace = 2.532226670389969 (1.87803e-08% change)
large trace change predicted (9.7365e-08%)
linmin: converged after 4 iterations.
iteration 426: trace = 2.532226667924473 (9.73648e-08% change)
linmin: converged after 4 iterations.
iteration 427: trace = 2.53222666650955 (5.58766e-08% change)
linmin: converged after 6 iterations.
iteration 428: trace = 2.532226665027508 (5.85272e-08% change)
linmin: converged after 4 iterations.
iteration 429: trace = 2.532226663124199 (7.51635e-08% change)
linmin: converged after 7 iterations.
iteration 430: trace = 2.532226662147229 (3.85814e-08% change)
linmin: converged after 7 iterations.
iteration 431: trace = 2.532226660826446 (5.2159e-08% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.532226659094629 (6.83911e-08% change)
linmin: converged after 5 iterations.
iteration 433: trace = 2.532226658647822 (1.76448e-08% change)
large trace change predicted (5.71739e-08%)
linmin: converged after 4 iterations.
iteration 434: trace = 2.532226657200071 (5.7173e-08% change)
linmin: converged after 10 iterations.
iteration 435: trace = 2.532226655897789 (5.14283e-08% change)
linmin: converged after 4 iterations.
iteration 436: trace = 2.532226655650127 (9.7804e-09% change)
large trace change predicted (2.04904e-08%)
linmin: converged after 16 iterations.
iteration 437: trace = 2.53222665513126 (2.04906e-08% change)
linmin: converged after 4 iterations.
iteration 438: trace = 2.532226654220309 (3.59743e-08% change)
linmin: converged after 4 iterations.
iteration 439: trace = 2.532226654016821 (8.03593e-09% change)
large trace change predicted (4.26703e-08%)
linmin: converged after 24 iterations.
iteration 440: trace = 2.532226652936318 (4.26701e-08% change)
linmin: converged after 7 iterations.
iteration 441: trace = 2.532226652307979 (2.48137e-08% change)
linmin: converged after 22 iterations.
iteration 442: trace = 2.532226651293117 (4.00779e-08% change)
linmin: converged after 7 iterations.
iteration 443: trace = 2.532226649812017 (5.849e-08% change)
linmin: converged after 6 iterations.
iteration 444: trace = 2.532226648554367 (4.96658e-08% change)
linmin: converged after 12 iterations.
iteration 445: trace = 2.532226647525179 (4.06436e-08% change)
linmin: converged after 8 iterations.
iteration 446: trace = 2.532226645471285 (8.11102e-08% change)
linmin: converged after 3 iterations.
iteration 447: trace = 2.532226644235352 (4.88082e-08% change)
linmin: converged after 7 iterations.
iteration 448: trace = 2.532226643803798 (1.70424e-08% change)
large trace change predicted (4.14197e-08%)
linmin: converged after 5 iterations.
iteration 449: trace = 2.532226642754956 (4.14197e-08% change)
linmin: converged after 15 iterations.
iteration 450: trace = 2.532226642082326 (2.65628e-08% change)
linmin: converged after 19 iterations.
iteration 451: trace = 2.532226641716459 (1.44484e-08% change)
large trace change predicted (3.51394e-08%)
linmin: converged after 4 iterations.
iteration 452: trace = 2.532226640826662 (3.51389e-08% change)
linmin: converged after 4 iterations.
iteration 453: trace = 2.532226640135402 (2.72985e-08% change)
linmin: converged after 5 iterations.
iteration 454: trace = 2.532226639517137 (2.44159e-08% change)
linmin: converged after 4 iterations.
iteration 455: trace = 2.532226638282867 (4.87425e-08% change)
linmin: converged after 4 iterations.
iteration 456: trace = 2.532226638026622 (1.01193e-08% change)
large trace change predicted (3.28326e-08%)
linmin: converged after 4 iterations.
iteration 457: trace = 2.532226637195224 (3.28327e-08% change)
linmin: converged after 4 iterations.
iteration 458: trace = 2.532226636264558 (3.67529e-08% change)
linmin: converged after 8 iterations.
iteration 459: trace = 2.532226635688844 (2.27355e-08% change)
large trace change predicted (6.28703e-08%)
linmin: converged after 16 iterations.
iteration 460: trace = 2.532226634096801 (6.28712e-08% change)
linmin: converged after 6 iterations.
iteration 461: trace = 2.532226633566544 (2.09404e-08% change)
large trace change predicted (6.11319e-08%)
linmin: converged after 9 iterations.
iteration 462: trace = 2.532226632018534 (6.11324e-08% change)
linmin: converged after 5 iterations.
iteration 463: trace = 2.532226630398428 (6.39795e-08% change)
linmin: converged after 6 iterations.
iteration 464: trace = 2.532226629990468 (1.61107e-08% change)
large trace change predicted (3.77254e-08%)
linmin: converged after 12 iterations.
iteration 465: trace = 2.53222662903518 (3.77252e-08% change)
linmin: converged after 5 iterations.
iteration 466: trace = 2.532226628138766 (3.54002e-08% change)
linmin: converged after 4 iterations.
iteration 467: trace = 2.532226627861705 (1.09414e-08% change)
large trace change predicted (2.94572e-08%)
linmin: converged after 4 iterations.
iteration 468: trace = 2.532226627115773 (2.94576e-08% change)
linmin: converged after 4 iterations.
iteration 469: trace = 2.532226626456777 (2.60244e-08% change)
linmin: converged after 4 iterations.
iteration 470: trace = 2.532226626319011 (5.44048e-09% change)
large trace change predicted (2.74546e-08%)
linmin: converged after 4 iterations.
iteration 471: trace = 2.532226625623806 (2.74543e-08% change)
linmin: converged after 4 iterations.
iteration 472: trace = 2.53222662505919 (2.22972e-08% change)
linmin: converged after 4 iterations.
iteration 473: trace = 2.532226624813997 (9.68289e-09% change)
large trace change predicted (3.7178e-08%)
linmin: converged after 4 iterations.
iteration 474: trace = 2.532226623872571 (3.71778e-08% change)
linmin: converged after 13 iterations.
iteration 475: trace = 2.532226622403658 (5.80087e-08% change)
linmin: converged after 24 iterations.
iteration 476: trace = 2.532226622168948 (9.26892e-09% change)
large trace change predicted (4.57674e-08%)
linmin: converged after 16 iterations.
iteration 477: trace = 2.53222662101005 (4.5766e-08% change)
linmin: converged after 4 iterations.
iteration 478: trace = 2.532226620368379 (2.53402e-08% change)
linmin: converged after 2 iterations.
iteration 479: trace = 2.532226620116673 (9.9401e-09% change)
large trace change predicted (3.61064e-08%)
linmin: converged after 4 iterations.
iteration 480: trace = 2.532226619202394 (3.61057e-08% change)
linmin: converged after 6 iterations.
iteration 481: trace = 2.532226618399125 (3.17218e-08% change)
linmin: converged after 4 iterations.
iteration 482: trace = 2.532226618157492 (9.54233e-09% change)
large trace change predicted (2.0967e-08%)
linmin: converged after 4 iterations.
iteration 483: trace = 2.532226617626567 (2.09667e-08% change)
linmin: converged after 4 iterations.
iteration 484: trace = 2.532226617416627 (8.29073e-09% change)
linmin: converged after 18 iterations.
iteration 485: trace = 2.532226617137782 (1.10118e-08% change)
linmin: converged after 13 iterations.
iteration 486: trace = 2.532226616844827 (1.15691e-08% change)
linmin: converged after 7 iterations.
iteration 487: trace = 2.532226616733817 (4.38387e-09% change)
large trace change predicted (9.37229e-09%)
linmin: converged after 18 iterations.
iteration 488: trace = 2.532226616496495 (9.37207e-09% change)
large trace change predicted (3.00344e-08%)
linmin: converged after 8 iterations.
iteration 489: trace = 2.532226615735953 (3.00345e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 490: trace = 2.532226615443588 (1.15458e-08% change)
linmin: converged after 2 iterations.
iteration 491: trace = 2.532226615044469 (1.57616e-08% change)
linmin: converged after 6 iterations.
iteration 492: trace = 2.53222661497231 (2.84965e-09% change)
large trace change predicted (8.95187e-09%)
linmin: converged after 6 iterations.
iteration 493: trace = 2.53222661474563 (8.95181e-09% change)
linmin: converged after 3 iterations.
iteration 494: trace = 2.53222661453013 (8.5103e-09% change)
linmin: converged after 14 iterations.
iteration 495: trace = 2.532226614447989 (3.24381e-09% change)
large trace change predicted (1.44164e-08%)
linmin: converged after 4 iterations.
iteration 496: trace = 2.532226614082933 (1.44164e-08% change)
linmin: converged after 4 iterations.
iteration 497: trace = 2.532226613817419 (1.04854e-08% change)
linmin: converged after 4 iterations.
iteration 498: trace = 2.532226613634143 (7.23776e-09% change)
large trace change predicted (1.99518e-08%)
linmin: converged after 4 iterations.
iteration 499: trace = 2.532226613128916 (1.99519e-08% change)
linmin: converged after 4 iterations.
iteration 500: trace = 2.532226612863586 (1.04781e-08% change)
linmin: converged after 6 iterations.
iteration 501: trace = 2.532226612570639 (1.15688e-08% change)
linmin: converged after 4 iterations.
iteration 502: trace = 2.532226612226721 (1.35816e-08% change)
linmin: converged after 8 iterations.
iteration 503: trace = 2.532226612029891 (7.77302e-09% change)
linmin: converged after 5 iterations.
iteration 504: trace = 2.532226611670453 (1.41945e-08% change)
linmin: converged after 6 iterations.
iteration 505: trace = 2.532226611196819 (1.87043e-08% change)
linmin: converged after 20 iterations.
iteration 506: trace = 2.53222661112223 (2.94558e-09% change)
large trace change predicted (1.06021e-08%)
linmin: converged after 6 iterations.
iteration 507: trace = 2.532226610853749 (1.06026e-08% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.53222661068053 (6.84059e-09% change)
linmin: converged after 17 iterations.
iteration 509: trace = 2.532226610616374 (2.53357e-09% change)
large trace change predicted (8.07521e-09%)
linmin: converged after 4 iterations.
iteration 510: trace = 2.532226610411894 (8.07509e-09% change)
linmin: converged after 4 iterations.
iteration 511: trace = 2.53222661031714 (3.74196e-09% change)
linmin: converged after 4 iterations.
iteration 512: trace = 2.532226610182449 (5.31905e-09% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.532226609970626 (8.36509e-09% change)
linmin: converged after 4 iterations.
iteration 514: trace = 2.532226609857379 (4.47222e-09% change)
linmin: converged after 5 iterations.
iteration 515: trace = 2.532226609760135 (3.84027e-09% change)
large trace change predicted (9.47579e-09%)
linmin: converged after 4 iterations.
iteration 516: trace = 2.532226609520188 (9.47574e-09% change)
linmin: converged after 9 iterations.
iteration 517: trace = 2.532226609287503 (9.18895e-09% change)
linmin: converged after 4 iterations.
iteration 518: trace = 2.532226609214028 (2.90158e-09% change)
large trace change predicted (1.03335e-08%)
linmin: converged after 4 iterations.
iteration 519: trace = 2.53222660895237 (1.03331e-08% change)
linmin: converged after 4 iterations.
iteration 520: trace = 2.532226608716047 (9.33258e-09% change)
linmin: converged after 5 iterations.
iteration 521: trace = 2.532226608640769 (2.9728e-09% change)
linmin: converged after 4 iterations.
iteration 522: trace = 2.532226608517133 (4.88251e-09% change)
linmin: converged after 4 iterations.
iteration 523: trace = 2.532226608355188 (6.39536e-09% change)
linmin: converged after 18 iterations.
iteration 524: trace = 2.5322266083288 (1.0421e-09% change)
large trace change predicted (6.24975e-09%)
linmin: converged after 4 iterations.
iteration 525: trace = 2.532226608170548 (6.24951e-09% change)
linmin: converged after 25 iterations.
iteration 526: trace = 2.532226608136921 (1.32797e-09% change)
large trace change predicted (3.9053e-09%)
linmin: converged after 5 iterations.
iteration 527: trace = 2.532226608038034 (3.90513e-09% change)
linmin: converged after 4 iterations.
iteration 528: trace = 2.532226607956137 (3.23421e-09% change)
linmin: converged after 4 iterations.
iteration 529: trace = 2.532226607927542 (1.12922e-09% change)
large trace change predicted (3.80954e-09%)
linmin: converged after 24 iterations.
iteration 530: trace = 2.532226607831084 (3.80921e-09% change)
linmin: converged after 7 iterations.
iteration 531: trace = 2.532226607755488 (2.98536e-09% change)
linmin: converged after 5 iterations.
iteration 532: trace = 2.532226607721565 (1.33965e-09% change)
large trace change predicted (4.88725e-09%)
linmin: converged after 3 iterations.
iteration 533: trace = 2.532226607597808 (4.8873e-09% change)
linmin: converged after 5 iterations.
iteration 534: trace = 2.532226607522797 (2.96224e-09% change)
linmin: converged after 26 iterations.
iteration 535: trace = 2.53222660742734 (3.7697e-09% change)
linmin: converged after 4 iterations.
iteration 536: trace = 2.532226607285777 (5.59043e-09% change)
linmin: converged after 4 iterations.
iteration 537: trace = 2.532226607195929 (3.5482e-09% change)
linmin: converged after 3 iterations.
iteration 538: trace = 2.532226607145792 (1.97997e-09% change)
linmin: converged after 25 iterations.
iteration 539: trace = 2.532226607053331 (3.65136e-09% change)
linmin: converged after 5 iterations.
iteration 540: trace = 2.532226607017517 (1.41431e-09% change)
linmin: converged after 4 iterations.
iteration 541: trace = 2.532226606980256 (1.47148e-09% change)
linmin: converged after 21 iterations.
iteration 542: trace = 2.53222660692834 (2.0502e-09% change)
linmin: converged after 7 iterations.
iteration 543: trace = 2.532226606900785 (1.08818e-09% change)
linmin: converged after 5 iterations.
iteration 544: trace = 2.532226606886538 (5.6262e-10% change)
large trace change predicted (2.71182e-09%)
linmin: converged after 7 iterations.
iteration 545: trace = 2.532226606817869 (2.71179e-09% change)
linmin: converged after 3 iterations.
iteration 546: trace = 2.532226606798261 (7.74368e-10% change)
large trace change predicted (2.57727e-09%)
linmin: converged after 4 iterations.
iteration 547: trace = 2.532226606732987 (2.57771e-09% change)
linmin: converged after 22 iterations.
iteration 548: trace = 2.532226606654048 (3.11736e-09% change)
linmin: converged after 4 iterations.
iteration 549: trace = 2.53222660662761 (1.04409e-09% change)
large trace change predicted (2.53059e-09%)
linmin: converged after 6 iterations.
iteration 550: trace = 2.532226606563538 (2.53024e-09% change)
linmin: converged after 11 iterations.
iteration 551: trace = 2.532226606482841 (3.18679e-09% change)
linmin: converged after 4 iterations.
iteration 552: trace = 2.532226606459311 (9.29224e-10% change)
large trace change predicted (2.58732e-09%)
linmin: converged after 5 iterations.
iteration 553: trace = 2.532226606393785 (2.58769e-09% change)
linmin: converged after 15 iterations.
iteration 554: trace = 2.532226606306193 (3.45908e-09% change)
linmin: converged after 10 iterations.
iteration 555: trace = 2.532226606290174 (6.3263e-10% change)
large trace change predicted (2.65653e-09%)
linmin: converged after 18 iterations.
iteration 556: trace = 2.532226606222913 (2.65618e-09% change)
linmin: converged after 6 iterations.
iteration 557: trace = 2.532226606201254 (8.55356e-10% change)
linmin: converged after 4 iterations.
iteration 558: trace = 2.532226606178723 (8.89765e-10% change)
linmin: converged after 6 iterations.
iteration 559: trace = 2.532226606152547 (1.0337e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 560: trace = 2.532226606138769 (5.44118e-10% change)
linmin: converged after 6 iterations.
iteration 561: trace = 2.532226606124821 (5.50818e-10% change)
large trace change predicted (1.15268e-09%)
linmin: converged after 12 iterations.
iteration 562: trace = 2.532226606095637 (1.15249e-09% change)
linmin: converged after 21 iterations.
iteration 563: trace = 2.532226606077214 (7.27561e-10% change)
large trace change predicted (1.59868e-09%)
linmin: converged after 9 iterations.
iteration 564: trace = 2.532226606036726 (1.59891e-09% change)
linmin: converged after 4 iterations.
iteration 565: trace = 2.532226605987478 (1.94484e-09% change)
linmin: converged after 3 iterations.
iteration 566: trace = 2.532226605965412 (8.71421e-10% change)
large trace change predicted (2.07106e-09%)
linmin: converged after 4 iterations.
iteration 567: trace = 2.532226605912968 (2.07106e-09% change)
linmin: converged after 2 iterations.
iteration 568: trace = 2.532226605884515 (1.12363e-09% change)
linmin: converged after 4 iterations.
iteration 569: trace = 2.532226605847781 (1.45065e-09% change)
linmin: converged after 3 iterations.
iteration 570: trace = 2.532226605794655 (2.09799e-09% change)
linmin: converged after 4 iterations.
iteration 571: trace = 2.532226605780342 (5.65251e-10% change)
large trace change predicted (1.6543e-09%)
linmin: converged after 4 iterations.
iteration 572: trace = 2.532226605738452 (1.65428e-09% change)
linmin: converged after 3 iterations.
iteration 573: trace = 2.532226605697139 (1.63148e-09% change)
linmin: converged after 6 iterations.
iteration 574: trace = 2.532226605689739 (2.92227e-10% change)
large trace change predicted (1.28387e-09%)
linmin: converged after 18 iterations.
iteration 575: trace = 2.532226605657222 (1.28415e-09% change)
linmin: converged after 4 iterations.
iteration 576: trace = 2.532226605642729 (5.72354e-10% change)
linmin: converged after 6 iterations.
iteration 577: trace = 2.532226605636149 (2.59836e-10% change)
large trace change predicted (1.03721e-09%)
linmin: converged after 18 iterations.
iteration 578: trace = 2.532226605609885 (1.0372e-09% change)
linmin: converged after 5 iterations.
iteration 579: trace = 2.532226605590671 (7.58742e-10% change)
linmin: converged after 3 iterations.
iteration 580: trace = 2.532226605580481 (4.02433e-10% change)
large trace change predicted (1.25496e-09%)
linmin: converged after 6 iterations.
iteration 581: trace = 2.532226605548697 (1.25516e-09% change)
linmin: converged after 4 iterations.
iteration 582: trace = 2.532226605521011 (1.09336e-09% change)
linmin: converged after 6 iterations.
iteration 583: trace = 2.532226605509007 (4.74056e-10% change)
large trace change predicted (2.23151e-09%)
linmin: converged after 3 iterations.
iteration 584: trace = 2.5322266054525 (2.23151e-09% change)
linmin: converged after 3 iterations.
iteration 585: trace = 2.532226605418284 (1.35125e-09% change)
linmin: converged after 4 iterations.
iteration 586: trace = 2.532226605390208 (1.10874e-09% change)
linmin: converged after 4 iterations.
iteration 587: trace = 2.532226605345729 (1.75652e-09% change)
linmin: converged after 4 iterations.
iteration 588: trace = 2.532226605334294 (4.51556e-10% change)
large trace change predicted (9.47294e-10%)
linmin: converged after 9 iterations.
iteration 589: trace = 2.532226605310306 (9.47323e-10% change)
linmin: converged after 4 iterations.
iteration 590: trace = 2.532226605289418 (8.24876e-10% change)
linmin: converged after 8 iterations.
iteration 591: trace = 2.532226605262301 (1.07089e-09% change)
linmin: converged after 3 iterations.
iteration 592: trace = 2.532226605256451 (2.31021e-10% change)
large trace change predicted (1.16166e-09%)
linmin: converged after 2 iterations.
iteration 593: trace = 2.532226605227016 (1.1624e-09% change)
linmin: converged after 4 iterations.
iteration 594: trace = 2.532226605203669 (9.21981e-10% change)
linmin: converged after 4 iterations.
iteration 595: trace = 2.5322266051893 (5.67461e-10% change)
linmin: converged after 18 iterations.
iteration 596: trace = 2.532226605167502 (8.60846e-10% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.532226605147977 (7.71036e-10% change)
linmin: converged after 7 iterations.
iteration 598: trace = 2.53222660512347 (9.67824e-10% change)
linmin: converged after 25 iterations.
iteration 599: trace = 2.532226605080746 (1.68718e-09% change)
linmin: converged after 22 iterations.
iteration 600: trace = 2.532226605050802 (1.18252e-09% change)
linmin: converged after 2 iterations.
iteration 601: trace = 2.532226605034923 (6.27106e-10% change)
large trace change predicted (1.46982e-09%)
linmin: converged after 5 iterations.
iteration 602: trace = 2.532226604997704 (1.46978e-09% change)
linmin: converged after 4 iterations.
iteration 603: trace = 2.53222660498625 (4.52345e-10% change)
large trace change predicted (1.13497e-09%)
linmin: converged after 6 iterations.
iteration 604: trace = 2.532226604957511 (1.13494e-09% change)
linmin: converged after 10 iterations.
iteration 605: trace = 2.532226604934842 (8.95202e-10% change)
linmin: converged after 7 iterations.
iteration 606: trace = 2.532226604927949 (2.72217e-10% change)
large trace change predicted (1.02475e-09%)
linmin: converged after 16 iterations.
iteration 607: trace = 2.532226604902005 (1.02456e-09% change)
linmin: converged after 6 iterations.
iteration 608: trace = 2.532226604883729 (7.21756e-10% change)
linmin: converged after 8 iterations.
iteration 609: trace = 2.532226604880142 (1.4165e-10% change)
large trace change predicted (5.91534e-10%)
linmin: converged after 10 iterations.
iteration 610: trace = 2.532226604865174 (5.91101e-10% change)
linmin: converged after 4 iterations.
iteration 611: trace = 2.532226604850425 (5.82455e-10% change)
linmin: converged after 17 iterations.
iteration 612: trace = 2.532226604833139 (6.82612e-10% change)
linmin: converged after 6 iterations.
iteration 613: trace = 2.532226604825081 (3.18218e-10% change)
large trace change predicted (1.41162e-09%)
linmin: converged after 4 iterations.
iteration 614: trace = 2.532226604789335 (1.41165e-09% change)
linmin: converged after 6 iterations.
iteration 615: trace = 2.532226604780225 (3.59764e-10% change)
large trace change predicted (1.05301e-09%)
linmin: converged after 4 iterations.
iteration 616: trace = 2.532226604753558 (1.05313e-09% change)
linmin: converged after 5 iterations.
iteration 617: trace = 2.532226604734905 (7.3661e-10% change)
linmin: converged after 5 iterations.
iteration 618: trace = 2.532226604720409 (5.72477e-10% change)
linmin: converged after 14 iterations.
iteration 619: trace = 2.532226604707265 (5.19057e-10% change)
linmin: converged after 2 iterations.
iteration 620: trace = 2.532226604685252 (8.69316e-10% change)
linmin: converged after 4 iterations.
iteration 621: trace = 2.532226604680823 (1.74901e-10% change)
large trace change predicted (5.75452e-10%)
linmin: converged after 16 iterations.
iteration 622: trace = 2.53222660466625 (5.75475e-10% change)
linmin: converged after 8 iterations.
iteration 623: trace = 2.532226604657313 (3.5296e-10% change)
linmin: converged after 2 iterations.
iteration 624: trace = 2.53222660465038 (2.73778e-10% change)
linmin: converged after 4 iterations.
iteration 625: trace = 2.532226604642506 (3.1094e-10% change)
linmin: converged after 16 iterations.
iteration 626: trace = 2.532226604635102 (2.92403e-10% change)
linmin: converged after 6 iterations.
iteration 627: trace = 2.532226604633134 (7.77087e-11% change)
Finished solving for bands 1 to 10 after 627 iterations.
tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154
elapsed time for k point: 5.555061340332031
solve_kpoint (0.166667,0.166667,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.553206221680581 (2.55578% change)
linmin: converged after 6 iterations.
iteration 2: trace = 2.48891356078405 (2.55022% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.465199503924426 (0.957348% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.46084310415172 (0.176872% change)
large trace change predicted (0.419623%)
linmin: converged after 4 iterations.
iteration 5: trace = 2.450658583331204 (0.414721% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.447937491967235 (0.111097% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.445239403359288 (0.11028% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.442317561097169 (0.119562% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.44140925349742 (0.0371973% change)
linmin: converged after 3 iterations.
iteration 10: trace = 2.439907648651203 (0.0615246% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.43940342973242 (0.0206676% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.438989981088599 (0.0169502% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.438435780755584 (0.0227251% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.438281780471905 (0.00631574% change)
large trace change predicted (0.0151055%)
linmin: converged after 3 iterations.
iteration 15: trace = 2.437911268206205 (0.0151968% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.437756509718134 (0.0063482% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.437475062818379 (0.011546% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.43703304641871 (0.0181358% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.436850985210067 (0.00747089% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.436522616304453 (0.013476% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.436395611582169 (0.00521268% change)
large trace change predicted (0.0178794%)
linmin: converged after 4 iterations.
iteration 22: trace = 2.435954737440773 (0.018097% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.435746548033289 (0.00854689% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.435488750587958 (0.0105845% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.435193460474172 (0.0121252% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.435111833144077 (0.00335204% change)
large trace change predicted (0.0170021%)
linmin: converged after 3 iterations.
iteration 27: trace = 2.43469482985178 (0.0171261% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.434620996611131 (0.00303259% change)
large trace change predicted (0.0100124%)
linmin: converged after 4 iterations.
iteration 29: trace = 2.434376912234995 (0.0100261% change)
linmin: converged after 5 iterations.
iteration 30: trace = 2.43419325187207 (0.00754474% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.434081322250106 (0.00459833% change)
linmin: converged after 5 iterations.
iteration 32: trace = 2.43391404623353 (0.00687248% change)
linmin: converged after 3 iterations.
iteration 33: trace = 2.433862509197497 (0.00211748% change)
large trace change predicted (0.00703875%)
linmin: converged after 3 iterations.
iteration 34: trace = 2.433691154478418 (0.00704069% change)
linmin: converged after 4 iterations.
iteration 35: trace = 2.433624337505446 (0.00274554% change)
large trace change predicted (0.00707874%)
linmin: converged after 3 iterations.
iteration 36: trace = 2.433451878551399 (0.00708676% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.433377332568779 (0.00306343% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.433271914661328 (0.00433226% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.433178259803009 (0.003849% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.433135884749246 (0.00174157% change)
large trace change predicted (0.00592581%)
linmin: converged after 3 iterations.
iteration 41: trace = 2.432991524414242 (0.00593327% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.432956083904433 (0.00145667% change)
large trace change predicted (0.00705928%)
linmin: converged after 3 iterations.
iteration 43: trace = 2.432784016593005 (0.00707261% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.432719864934984 (0.002637% change)
large trace change predicted (0.00567874%)
linmin: converged after 3 iterations.
iteration 45: trace = 2.432580687348562 (0.00572123% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.432479379338495 (0.00416472% change)
linmin: converged after 3 iterations.
iteration 47: trace = 2.432285042794907 (0.00798956% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.432170808943507 (0.00469668% change)
linmin: converged after 4 iterations.
iteration 49: trace = 2.432052622647903 (0.00485941% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.431877546560799 (0.00719896% change)
linmin: converged after 3 iterations.
iteration 51: trace = 2.431795719559632 (0.00336482% change)
linmin: converged after 3 iterations.
iteration 52: trace = 2.431696393891712 (0.00408454% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.431636760277184 (0.00245238% change)
large trace change predicted (0.00592315%)
linmin: converged after 3 iterations.
iteration 54: trace = 2.431492404116106 (0.00593676% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.431457162942928 (0.00144937% change)
large trace change predicted (0.00664181%)
linmin: converged after 3 iterations.
iteration 56: trace = 2.431295745583637 (0.00663893% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.431257083117029 (0.00159021% change)
large trace change predicted (0.00464796%)
linmin: converged after 4 iterations.
iteration 58: trace = 2.431144088626962 (0.00464768% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.431090062211807 (0.00222229% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.431016706095293 (0.00301746% change)
linmin: converged after 3 iterations.
iteration 61: trace = 2.430957069106225 (0.0024532% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.430908617688924 (0.00199312% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.430849646073965 (0.00242594% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.430813248378599 (0.00149734% change)
linmin: converged after 5 iterations.
iteration 65: trace = 2.43074333275598 (0.00287626% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.430720451057193 (0.00094135% change)
large trace change predicted (0.00257253%)
linmin: converged after 3 iterations.
iteration 67: trace = 2.43065783473218 (0.00257607% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.430628268300632 (0.0012164% change)
large trace change predicted (0.00251896%)
linmin: converged after 3 iterations.
iteration 69: trace = 2.430567036278524 (0.00251922% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.430539129163158 (0.00114818% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.430504616436809 (0.00141997% change)
linmin: converged after 4 iterations.
iteration 72: trace = 2.430479160966565 (0.00104734% change)
linmin: converged after 4 iterations.
iteration 73: trace = 2.430467719097353 (0.000470767% change)
linmin: converged after 3 iterations.
iteration 74: trace = 2.430449169402523 (0.000763218% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.430430819274576 (0.000755013% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.430421416326485 (0.000386885% change)
large trace change predicted (0.000998674%)
linmin: converged after 5 iterations.
iteration 77: trace = 2.430397170000086 (0.000997623% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.430362071235476 (0.00144417% change)
linmin: converged after 4 iterations.
iteration 79: trace = 2.43034979166542 (0.000505258% change)
large trace change predicted (0.00196789%)
linmin: converged after 3 iterations.
iteration 80: trace = 2.430301925051948 (0.00196956% change)
linmin: converged after 17 iterations.
iteration 81: trace = 2.430250561903287 (0.00211347% change)
linmin: converged after 4 iterations.
iteration 82: trace = 2.430233115417473 (0.000717891% change)
large trace change predicted (0.00378132%)
linmin: converged after 4 iterations.
iteration 83: trace = 2.430141282638945 (0.00377884% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.430107729386463 (0.00138072% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.430052054670437 (0.00229107% change)
linmin: converged after 5 iterations.
iteration 86: trace = 2.430006091898554 (0.00189145% change)
linmin: converged after 7 iterations.
iteration 87: trace = 2.429964689274548 (0.00170382% change)
linmin: converged after 3 iterations.
iteration 88: trace = 2.429930838606015 (0.00139306% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.429891868095913 (0.00160378% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.429864566771172 (0.00112357% change)
linmin: converged after 4 iterations.
iteration 91: trace = 2.429844028648026 (0.000845241% change)
linmin: converged after 17 iterations.
iteration 92: trace = 2.429825124482 (0.000778002% change)
linmin: converged after 5 iterations.
iteration 93: trace = 2.429820307031026 (0.000198263% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.429811489210155 (0.000362901% change)
linmin: converged after 5 iterations.
iteration 95: trace = 2.429799351019589 (0.000499554% change)
linmin: converged after 3 iterations.
iteration 96: trace = 2.429796384209345 (0.000122101% change)
large trace change predicted (0.000517057%)
linmin: converged after 4 iterations.
iteration 97: trace = 2.429783822312285 (0.000516995% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.429779176188033 (0.000191216% change)
large trace change predicted (0.000404307%)
linmin: converged after 3 iterations.
iteration 99: trace = 2.429769358407512 (0.000404061% change)
linmin: converged after 3 iterations.
iteration 100: trace = 2.429751334627436 (0.000741793% change)
linmin: converged after 4 iterations.
iteration 101: trace = 2.429742352605952 (0.000369669% change)
large trace change predicted (0.00141944%)
linmin: converged after 4 iterations.
iteration 102: trace = 2.429707992174702 (0.00141417% change)
linmin: converged after 4 iterations.
iteration 103: trace = 2.429664632613277 (0.00178457% change)
linmin: converged after 4 iterations.
iteration 104: trace = 2.429647045585335 (0.000723849% change)
large trace change predicted (0.00236014%)
linmin: converged after 4 iterations.
iteration 105: trace = 2.429590050260671 (0.00234585% change)
linmin: converged after 3 iterations.
iteration 106: trace = 2.429561724742144 (0.00116586% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.42953515505053 (0.00109361% change)
linmin: converged after 5 iterations.
iteration 108: trace = 2.429519665032375 (0.000637573% change)
linmin: converged after 5 iterations.
iteration 109: trace = 2.429512022126598 (0.000314586% change)
linmin: converged after 3 iterations.
iteration 110: trace = 2.429498087555357 (0.000573556% change)
linmin: converged after 3 iterations.
iteration 111: trace = 2.429487519945834 (0.000434972% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.42948324395007 (0.000176004% change)
large trace change predicted (0.000474577%)
linmin: converged after 3 iterations.
iteration 113: trace = 2.42947170709866 (0.00047487% change)
linmin: converged after 3 iterations.
iteration 114: trace = 2.429465139327126 (0.000270338% change)
linmin: converged after 5 iterations.
iteration 115: trace = 2.429459385570046 (0.000236833% change)
large trace change predicted (0.000650862%)
linmin: converged after 3 iterations.
iteration 116: trace = 2.429443546676336 (0.000651953% change)
linmin: converged after 13 iterations.
iteration 117: trace = 2.429438048868982 (0.000226299% change)
linmin: converged after 5 iterations.
iteration 118: trace = 2.429427443295201 (0.000436545% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.429413271509384 (0.00058334% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.429408316184948 (0.000203972% change)
large trace change predicted (0.000900917%)
linmin: converged after 6 iterations.
iteration 121: trace = 2.429386326019267 (0.00090517% change)
linmin: converged after 4 iterations.
iteration 122: trace = 2.429375631412208 (0.000440219% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.429364836826458 (0.000444337% change)
large trace change predicted (0.00110621%)
linmin: converged after 6 iterations.
iteration 124: trace = 2.429337834084296 (0.00111152% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.429334077310085 (0.000154642% change)
large trace change predicted (0.000524101%)
linmin: converged after 4 iterations.
iteration 126: trace = 2.429321327974368 (0.000524809% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.429312247681153 (0.00037378% change)
linmin: converged after 4 iterations.
iteration 128: trace = 2.429307013266377 (0.000215469% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.429299574266179 (0.000306219% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.429296422141316 (0.000129755% change)
linmin: converged after 4 iterations.
iteration 131: trace = 2.42929430636169 (8.70944e-05% change)
linmin: converged after 4 iterations.
iteration 132: trace = 2.429292120608778 (8.99748e-05% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.429291259743365 (3.54369e-05% change)
large trace change predicted (0.000155579%)
linmin: converged after 3 iterations.
iteration 134: trace = 2.42928747856844 (0.000155649% change)
linmin: converged after 4 iterations.
iteration 135: trace = 2.42928566079622 (7.48274e-05% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.429283972697248 (6.94895e-05% change)
linmin: converged after 9 iterations.
iteration 137: trace = 2.429281362924337 (0.00010743% change)
linmin: converged after 3 iterations.
iteration 138: trace = 2.429278118852213 (0.00013354% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.429275614525207 (0.000103089% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.42927409598177 (6.25102e-05% change)
linmin: converged after 5 iterations.
iteration 141: trace = 2.42927289908012 (4.92699e-05% change)
linmin: converged after 4 iterations.
iteration 142: trace = 2.429271258249443 (6.75441e-05% change)
linmin: converged after 3 iterations.
iteration 143: trace = 2.429270235886694 (4.20852e-05% change)
linmin: converged after 3 iterations.
iteration 144: trace = 2.429268647958751 (6.53665e-05% change)
linmin: converged after 7 iterations.
iteration 145: trace = 2.42926704584085 (6.59506e-05% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.429266479973327 (2.32938e-05% change)
large trace change predicted (8.08986e-05%)
linmin: converged after 3 iterations.
iteration 147: trace = 2.429264515434403 (8.08697e-05% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.42926334816456 (4.80504e-05% change)
linmin: converged after 4 iterations.
iteration 149: trace = 2.429261899908278 (5.96171e-05% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.429259840646419 (8.47691e-05% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.429256957670471 (0.000118677% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.429255776060519 (4.86408e-05% change)
large trace change predicted (0.000132907%)
linmin: converged after 3 iterations.
iteration 153: trace = 2.429252548958497 (0.000132843% change)
linmin: converged after 4 iterations.
iteration 154: trace = 2.429251754706228 (3.26953e-05% change)
large trace change predicted (0.000118786%)
linmin: converged after 17 iterations.
iteration 155: trace = 2.429248871948371 (0.000118669% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.429246735918261 (8.79297e-05% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.429245833309891 (3.71559e-05% change)
large trace change predicted (0.000116423%)
linmin: converged after 8 iterations.
iteration 158: trace = 2.429243005345469 (0.000116413% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.429241101779866 (7.83605e-05% change)
linmin: converged after 4 iterations.
iteration 160: trace = 2.429240335506347 (3.15437e-05% change)
large trace change predicted (9.3507e-05%)
linmin: converged after 3 iterations.
iteration 161: trace = 2.429238064622663 (9.34813e-05% change)
linmin: converged after 4 iterations.
iteration 162: trace = 2.429235882997586 (8.9807e-05% change)
linmin: converged after 4 iterations.
iteration 163: trace = 2.429234980401422 (3.71556e-05% change)
linmin: converged after 4 iterations.
iteration 164: trace = 2.42923423123724 (3.08395e-05% change)
linmin: converged after 4 iterations.
iteration 165: trace = 2.429233750911721 (1.97727e-05% change)
linmin: converged after 4 iterations.
iteration 166: trace = 2.429233088670296 (2.72613e-05% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.429232294868338 (3.26771e-05% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.429232092479231 (8.3314e-06% change)
large trace change predicted (2.08687e-05%)
linmin: converged after 3 iterations.
iteration 169: trace = 2.429231585521984 (2.0869e-05% change)
large trace change predicted (4.65916e-05%)
linmin: converged after 5 iterations.
iteration 170: trace = 2.429230452851343 (4.66267e-05% change)
linmin: converged after 3 iterations.
iteration 171: trace = 2.42923003641728 (1.71426e-05% change)
large trace change predicted (4.9594e-05%)
linmin: converged after 3 iterations.
iteration 172: trace = 2.429228831028408 (4.96202e-05% change)
large trace change predicted (0.000101481%)
linmin: converged after 3 iterations.
iteration 173: trace = 2.429226362009262 (0.000101638% change)
linmin: converged after 8 iterations.
iteration 174: trace = 2.429225417340648 (3.88876e-05% change)
large trace change predicted (0.00015174%)
linmin: converged after 5 iterations.
iteration 175: trace = 2.429221720389118 (0.000152187% change)
linmin: converged after 8 iterations.
iteration 176: trace = 2.42922057521934 (4.71414e-05% change)
large trace change predicted (0.000101914%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.429218093805543 (0.000102149% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.429216776163412 (5.42414e-05% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.429216260438805 (2.12301e-05% change)
linmin: converged after 3 iterations.
iteration 180: trace = 2.429215479645262 (3.21418e-05% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.429214791117453 (2.83436e-05% change)
linmin: converged after 3 iterations.
iteration 182: trace = 2.42921465892592 (5.44174e-06% change)
large trace change predicted (1.81693e-05%)
linmin: converged after 3 iterations.
iteration 183: trace = 2.429214217504786 (1.81714e-05% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.429213878554908 (1.39531e-05% change)
linmin: converged after 4 iterations.
iteration 185: trace = 2.429213475528831 (1.65908e-05% change)
large trace change predicted (4.60529e-05%)
linmin: converged after 3 iterations.
iteration 186: trace = 2.429212356766668 (4.60545e-05% change)
linmin: converged after 3 iterations.
iteration 187: trace = 2.42921172171569 (2.61423e-05% change)
linmin: converged after 3 iterations.
iteration 188: trace = 2.429211037753644 (2.81557e-05% change)
large trace change predicted (6.15626e-05%)
linmin: converged after 3 iterations.
iteration 189: trace = 2.429209541977092 (6.15746e-05% change)
linmin: converged after 4 iterations.
iteration 190: trace = 2.429207963346268 (6.49854e-05% change)
linmin: converged after 5 iterations.
iteration 191: trace = 2.4292070388716 (3.80566e-05% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.429205426903361 (6.63578e-05% change)
linmin: converged after 7 iterations.
iteration 193: trace = 2.429204296054082 (4.65522e-05% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.429202808309655 (6.12441e-05% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.429201125104358 (6.92905e-05% change)
linmin: converged after 3 iterations.
iteration 196: trace = 2.429200275662924 (3.49679e-05% change)
large trace change predicted (8.11891e-05%)
linmin: converged after 3 iterations.
iteration 197: trace = 2.42919830378711 (8.11739e-05% change)
linmin: converged after 4 iterations.
iteration 198: trace = 2.429196398587989 (7.84292e-05% change)
linmin: converged after 3 iterations.
iteration 199: trace = 2.429196159061805 (9.86031e-06% change)
large trace change predicted (4.10336e-05%)
linmin: converged after 4 iterations.
iteration 200: trace = 2.429195162416827 (4.10278e-05% change)
linmin: converged after 5 iterations.
iteration 201: trace = 2.429194809229874 (1.45393e-05% change)
linmin: converged after 4 iterations.
iteration 202: trace = 2.429194551279223 (1.06188e-05% change)
large trace change predicted (2.65693e-05%)
linmin: converged after 3 iterations.
iteration 203: trace = 2.429193905991623 (2.65639e-05% change)
linmin: converged after 4 iterations.
iteration 204: trace = 2.429193570087664 (1.38278e-05% change)
linmin: converged after 4 iterations.
iteration 205: trace = 2.429193222930634 (1.4291e-05% change)
large trace change predicted (3.24251e-05%)
linmin: converged after 3 iterations.
iteration 206: trace = 2.429192435152539 (3.24296e-05% change)
linmin: converged after 3 iterations.
iteration 207: trace = 2.4291921630543 (1.12012e-05% change)
large trace change predicted (2.38952e-05%)
linmin: converged after 3 iterations.
iteration 208: trace = 2.42919158249233 (2.38994e-05% change)
large trace change predicted (0.000111098%)
linmin: converged after 5 iterations.
iteration 209: trace = 2.429188884189141 (0.000111078% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.429188417663049 (1.9205e-05% change)
large trace change predicted (3.87924e-05%)
linmin: converged after 3 iterations.
iteration 211: trace = 2.429187475341786 (3.87916e-05% change)
linmin: converged after 2 iterations.
iteration 212: trace = 2.429186915967879 (2.30272e-05% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.429186735590805 (7.42541e-06% change)
large trace change predicted (2.20942e-05%)
linmin: converged after 3 iterations.
iteration 214: trace = 2.429186198860606 (2.20951e-05% change)
linmin: converged after 17 iterations.
iteration 215: trace = 2.429185878642841 (1.31821e-05% change)
linmin: converged after 5 iterations.
iteration 216: trace = 2.429185770261154 (4.46165e-06% change)
large trace change predicted (2.78323e-05%)
linmin: converged after 4 iterations.
iteration 217: trace = 2.429185094171956 (2.78319e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.429184909013692 (7.62224e-06% change)
large trace change predicted (1.53145e-05%)
linmin: converged after 3 iterations.
iteration 219: trace = 2.429184537014271 (1.53138e-05% change)
linmin: converged after 3 iterations.
iteration 220: trace = 2.42918417152118 (1.50459e-05% change)
linmin: converged after 4 iterations.
iteration 221: trace = 2.42918393213037 (9.85478e-06% change)
linmin: converged after 4 iterations.
iteration 222: trace = 2.429183590611124 (1.4059e-05% change)
linmin: converged after 3 iterations.
iteration 223: trace = 2.429183130075418 (1.89585e-05% change)
linmin: converged after 4 iterations.
iteration 224: trace = 2.429182974161737 (6.41836e-06% change)
large trace change predicted (2.32489e-05%)
linmin: converged after 4 iterations.
iteration 225: trace = 2.42918240945807 (2.32467e-05% change)
linmin: converged after 3 iterations.
iteration 226: trace = 2.429181944168396 (1.91542e-05% change)
linmin: converged after 7 iterations.
iteration 227: trace = 2.429181768390337 (7.2361e-06% change)
large trace change predicted (3.06009e-05%)
linmin: converged after 3 iterations.
iteration 228: trace = 2.429181025453373 (3.05838e-05% change)
linmin: converged after 5 iterations.
iteration 229: trace = 2.429180461966678 (2.31966e-05% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.429180207737434 (1.04656e-05% change)
large trace change predicted (4.05241e-05%)
linmin: converged after 9 iterations.
iteration 231: trace = 2.429179223611912 (4.05127e-05% change)
linmin: converged after 5 iterations.
iteration 232: trace = 2.429179025585875 (8.15197e-06% change)
large trace change predicted (2.09963e-05%)
linmin: converged after 5 iterations.
iteration 233: trace = 2.429178515612528 (2.09937e-05% change)
linmin: converged after 10 iterations.
iteration 234: trace = 2.429178320911897 (8.01508e-06% change)
linmin: converged after 5 iterations.
iteration 235: trace = 2.429178248027359 (3.00038e-06% change)
large trace change predicted (9.55952e-06%)
linmin: converged after 4 iterations.
iteration 236: trace = 2.42917801581976 (9.5591e-06% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.429177861901049 (6.33625e-06% change)
linmin: converged after 18 iterations.
iteration 238: trace = 2.429177747213046 (4.72127e-06% change)
linmin: converged after 5 iterations.
iteration 239: trace = 2.429177698299305 (2.01359e-06% change)
large trace change predicted (1.11405e-05%)
linmin: converged after 8 iterations.
iteration 240: trace = 2.429177427738141 (1.1138e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.429177305472837 (5.0332e-06% change)
linmin: converged after 6 iterations.
iteration 242: trace = 2.429177204659053 (4.15012e-06% change)
large trace change predicted (1.7675e-05%)
linmin: converged after 15 iterations.
iteration 243: trace = 2.429176775531757 (1.76655e-05% change)
linmin: converged after 2 iterations.
iteration 244: trace = 2.429176676169531 (4.09037e-06% change)
large trace change predicted (1.92215e-05%)
linmin: converged after 8 iterations.
iteration 245: trace = 2.429176209583188 (1.92076e-05% change)
linmin: converged after 5 iterations.
iteration 246: trace = 2.429175810985335 (1.64088e-05% change)
linmin: converged after 4 iterations.
iteration 247: trace = 2.429175606454512 (8.41976e-06% change)
linmin: converged after 3 iterations.
iteration 248: trace = 2.429175235324235 (1.5278e-05% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.429174806497148 (1.76532e-05% change)
linmin: converged after 3 iterations.
iteration 250: trace = 2.429174680882425 (5.17109e-06% change)
large trace change predicted (1.79797e-05%)
linmin: converged after 5 iterations.
iteration 251: trace = 2.429174244340877 (1.79708e-05% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.429174062259734 (7.4956e-06% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.429173793528956 (1.10626e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.42917345168899 (1.40723e-05% change)
linmin: converged after 5 iterations.
iteration 255: trace = 2.429173367085217 (3.48282e-06% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.429173285275176 (3.36781e-06% change)
linmin: converged after 16 iterations.
iteration 257: trace = 2.429173157686595 (5.25235e-06% change)
linmin: converged after 19 iterations.
iteration 258: trace = 2.429173124665559 (1.35935e-06% change)
large trace change predicted (5.8885e-06%)
linmin: converged after 3 iterations.
iteration 259: trace = 2.429172981626833 (5.88837e-06% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.429172805000309 (7.27106e-06% change)
linmin: converged after 3 iterations.
iteration 261: trace = 2.429172679875048 (5.15094e-06% change)
large trace change predicted (1.04768e-05%)
linmin: converged after 5 iterations.
iteration 262: trace = 2.429172425283692 (1.04806e-05% change)
linmin: converged after 3 iterations.
iteration 263: trace = 2.429172162836944 (1.0804e-05% change)
linmin: converged after 4 iterations.
iteration 264: trace = 2.429171853052371 (1.27527e-05% change)
linmin: converged after 5 iterations.
iteration 265: trace = 2.429171375270278 (1.96685e-05% change)
linmin: converged after 3 iterations.
iteration 266: trace = 2.429170756902879 (2.54559e-05% change)
linmin: converged after 3 iterations.
iteration 267: trace = 2.429170563713625 (7.95289e-06% change)
large trace change predicted (1.94942e-05%)
linmin: converged after 3 iterations.
iteration 268: trace = 2.429170089903602 (1.9505e-05% change)
linmin: converged after 7 iterations.
iteration 269: trace = 2.429169997198031 (3.81635e-06% change)
large trace change predicted (1.09782e-05%)
linmin: converged after 3 iterations.
iteration 270: trace = 2.429169730438092 (1.09815e-05% change)
linmin: converged after 5 iterations.
iteration 271: trace = 2.429169585969877 (5.94723e-06% change)
linmin: converged after 4 iterations.
iteration 272: trace = 2.429169513444048 (2.98562e-06% change)
large trace change predicted (9.14273e-06%)
linmin: converged after 3 iterations.
iteration 273: trace = 2.429169291329733 (9.14363e-06% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.429169104533092 (7.68973e-06% change)
linmin: converged after 9 iterations.
iteration 275: trace = 2.429169019206554 (3.51258e-06% change)
large trace change predicted (7.07632e-06%)
linmin: converged after 3 iterations.
iteration 276: trace = 2.429168847307157 (7.07647e-06% change)
linmin: converged after 4 iterations.
iteration 277: trace = 2.429168747622026 (4.10367e-06% change)
linmin: converged after 3 iterations.
iteration 278: trace = 2.429168631884506 (4.76449e-06% change)
linmin: converged after 9 iterations.
iteration 279: trace = 2.429168532093602 (4.10803e-06% change)
resetting CG direction...
linmin: converged after 12 iterations.
iteration 280: trace = 2.4291684964183 (1.46862e-06% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.429168440493254 (2.30223e-06% change)
large trace change predicted (4.78184e-06%)
linmin: converged after 12 iterations.
iteration 282: trace = 2.429168324337096 (4.78173e-06% change)
linmin: converged after 3 iterations.
iteration 283: trace = 2.429168281452561 (1.7654e-06% change)
large trace change predicted (4.77569e-06%)
linmin: converged after 3 iterations.
iteration 284: trace = 2.429168165440978 (4.77577e-06% change)
linmin: converged after 4 iterations.
iteration 285: trace = 2.429168012705448 (6.28757e-06% change)
linmin: converged after 3 iterations.
iteration 286: trace = 2.42916796048866 (2.14958e-06% change)
large trace change predicted (8.34541e-06%)
linmin: converged after 8 iterations.
iteration 287: trace = 2.429167757816693 (8.34327e-06% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.429167658486002 (4.08908e-06% change)
linmin: converged after 3 iterations.
iteration 289: trace = 2.429167571186357 (3.59381e-06% change)
large trace change predicted (7.19173e-06%)
linmin: converged after 3 iterations.
iteration 290: trace = 2.429167396516001 (7.19054e-06% change)
linmin: converged after 21 iterations.
iteration 291: trace = 2.429167288799497 (4.4343e-06% change)
large trace change predicted (9.41372e-06%)
linmin: converged after 3 iterations.
iteration 292: trace = 2.42916706019453 (9.41084e-06% change)
linmin: converged after 5 iterations.
iteration 293: trace = 2.429166790637383 (1.10967e-05% change)
linmin: converged after 2 iterations.
iteration 294: trace = 2.429166700646225 (3.70461e-06% change)
large trace change predicted (9.97237e-06%)
linmin: converged after 5 iterations.
iteration 295: trace = 2.429166458463594 (9.96978e-06% change)
linmin: converged after 5 iterations.
iteration 296: trace = 2.429166273287356 (7.62304e-06% change)
linmin: converged after 3 iterations.
iteration 297: trace = 2.429166214243364 (2.43063e-06% change)
large trace change predicted (5.55686e-06%)
linmin: converged after 3 iterations.
iteration 298: trace = 2.429166079247588 (5.55729e-06% change)
linmin: converged after 5 iterations.
iteration 299: trace = 2.42916595125798 (5.26887e-06% change)
linmin: converged after 5 iterations.
iteration 300: trace = 2.42916592282076 (1.17066e-06% change)
large trace change predicted (4.49744e-06%)
linmin: converged after 3 iterations.
iteration 301: trace = 2.429165813577227 (4.49716e-06% change)
linmin: converged after 3 iterations.
iteration 302: trace = 2.429165796577458 (6.99819e-07% change)
large trace change predicted (2.49075e-06%)
linmin: converged after 28 iterations.
iteration 303: trace = 2.429165736079905 (2.49047e-06% change)
linmin: converged after 10 iterations.
iteration 304: trace = 2.429165697146961 (1.60273e-06% change)
linmin: converged after 6 iterations.
iteration 305: trace = 2.429165679806006 (7.13865e-07% change)
large trace change predicted (3.42752e-06%)
linmin: converged after 4 iterations.
iteration 306: trace = 2.429165596541317 (3.42771e-06% change)
linmin: converged after 3 iterations.
iteration 307: trace = 2.42916551057928 (3.53875e-06% change)
linmin: converged after 13 iterations.
iteration 308: trace = 2.429165452112139 (2.40688e-06% change)
linmin: converged after 5 iterations.
iteration 309: trace = 2.429165391596641 (2.49121e-06% change)
large trace change predicted (5.07692e-06%)
linmin: converged after 6 iterations.
iteration 310: trace = 2.429165268222554 (5.07887e-06% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.429165206363174 (2.54653e-06% change)
large trace change predicted (5.43046e-06%)
linmin: converged after 3 iterations.
iteration 312: trace = 2.429165074413008 (5.43191e-06% change)
linmin: converged after 4 iterations.
iteration 313: trace = 2.429164892245254 (7.49919e-06% change)
linmin: converged after 5 iterations.
iteration 314: trace = 2.429164849258548 (1.76961e-06% change)
large trace change predicted (6.15247e-06%)
linmin: converged after 5 iterations.
iteration 315: trace = 2.429164699752117 (6.15464e-06% change)
linmin: converged after 7 iterations.
iteration 316: trace = 2.429164638771448 (2.51036e-06% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.429164550226917 (3.64506e-06% change)
linmin: converged after 6 iterations.
iteration 318: trace = 2.429164479965706 (2.8924e-06% change)
linmin: converged after 7 iterations.
iteration 319: trace = 2.429164428042301 (2.1375e-06% change)
linmin: converged after 6 iterations.
iteration 320: trace = 2.42916433563347 (3.80414e-06% change)
linmin: converged after 6 iterations.
iteration 321: trace = 2.429164273072414 (2.57541e-06% change)
linmin: converged after 5 iterations.
iteration 322: trace = 2.429164251889688 (8.72017e-07% change)
large trace change predicted (2.15234e-06%)
linmin: converged after 31 iterations.
iteration 323: trace = 2.429164199604794 (2.15238e-06% change)
linmin: converged after 4 iterations.
iteration 324: trace = 2.429164141863048 (2.37702e-06% change)
linmin: converged after 3 iterations.
iteration 325: trace = 2.429164127630346 (5.85909e-07% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.429164104061229 (9.70256e-07% change)
large trace change predicted (2.21783e-06%)
linmin: converged after 11 iterations.
iteration 327: trace = 2.429164050187693 (2.21778e-06% change)
linmin: converged after 5 iterations.
iteration 328: trace = 2.429164034353503 (6.51837e-07% change)
large trace change predicted (3.00202e-06%)
linmin: converged after 15 iterations.
iteration 329: trace = 2.429163961434901 (3.0018e-06% change)
linmin: converged after 3 iterations.
iteration 330: trace = 2.429163889770653 (2.95016e-06% change)
linmin: converged after 12 iterations.
iteration 331: trace = 2.42916383487541 (2.25984e-06% change)
large trace change predicted (5.68134e-06%)
linmin: converged after 3 iterations.
iteration 332: trace = 2.429163696882009 (5.6807e-06% change)
linmin: converged after 4 iterations.
iteration 333: trace = 2.429163570432511 (5.20547e-06% change)
linmin: converged after 3 iterations.
iteration 334: trace = 2.429163481349127 (3.66725e-06% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.429163344316766 (5.64113e-06% change)
linmin: converged after 4 iterations.
iteration 336: trace = 2.429163265834819 (3.23082e-06% change)
linmin: converged after 3 iterations.
iteration 337: trace = 2.42916317946051 (3.55572e-06% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.429163085013065 (3.88807e-06% change)
linmin: converged after 39 iterations.
iteration 339: trace = 2.429163066798336 (7.49836e-07% change)
large trace change predicted (2.4415e-06%)
linmin: converged after 15 iterations.
iteration 340: trace = 2.429163007491066 (2.44147e-06% change)
linmin: converged after 12 iterations.
iteration 341: trace = 2.429162963036354 (1.83004e-06% change)
linmin: converged after 18 iterations.
iteration 342: trace = 2.429162948635061 (5.9285e-07% change)
large trace change predicted (3.10214e-06%)
linmin: converged after 3 iterations.
iteration 343: trace = 2.4291628732808 (3.10207e-06% change)
linmin: converged after 3 iterations.
iteration 344: trace = 2.429162825499415 (1.96699e-06% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.429162809116475 (6.74427e-07% change)
large trace change predicted (2.00799e-06%)
linmin: converged after 2 iterations.
iteration 346: trace = 2.429162760339046 (2.00799e-06% change)
linmin: converged after 4 iterations.
iteration 347: trace = 2.429162724432277 (1.47815e-06% change)
linmin: converged after 4 iterations.
iteration 348: trace = 2.429162698551296 (1.06543e-06% change)
large trace change predicted (2.23223e-06%)
linmin: converged after 5 iterations.
iteration 349: trace = 2.4291626443277 (2.23219e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.429162606880206 (1.54158e-06% change)
linmin: converged after 3 iterations.
iteration 351: trace = 2.429162592627571 (5.8673e-07% change)
large trace change predicted (1.69493e-06%)
linmin: converged after 2 iterations.
iteration 352: trace = 2.429162551455 (1.69493e-06% change)
linmin: converged after 12 iterations.
iteration 353: trace = 2.42916252138295 (1.23796e-06% change)
linmin: converged after 3 iterations.
iteration 354: trace = 2.429162501479733 (8.19345e-07% change)
large trace change predicted (1.82735e-06%)
linmin: converged after 6 iterations.
iteration 355: trace = 2.429162457090289 (1.82736e-06% change)
linmin: converged after 6 iterations.
iteration 356: trace = 2.429162440909697 (6.66098e-07% change)
large trace change predicted (2.34219e-06%)
linmin: converged after 2 iterations.
iteration 357: trace = 2.429162384014163 (2.34219e-06% change)
linmin: converged after 5 iterations.
iteration 358: trace = 2.429162349681781 (1.41334e-06% change)
linmin: converged after 4 iterations.
iteration 359: trace = 2.429162330473176 (7.9075e-07% change)
linmin: converged after 8 iterations.
iteration 360: trace = 2.429162296920965 (1.38123e-06% change)
linmin: converged after 2 iterations.
iteration 361: trace = 2.429162235219772 (2.54002e-06% change)
linmin: converged after 3 iterations.
iteration 362: trace = 2.429162220071998 (6.2358e-07% change)
large trace change predicted (2.67787e-06%)
linmin: converged after 5 iterations.
iteration 363: trace = 2.429162155020347 (2.67795e-06% change)
linmin: converged after 2 iterations.
iteration 364: trace = 2.429162083523964 (2.94325e-06% change)
linmin: converged after 7 iterations.
iteration 365: trace = 2.429162046332947 (1.53102e-06% change)
large trace change predicted (3.42156e-06%)
linmin: converged after 2 iterations.
iteration 366: trace = 2.429161963216603 (3.42161e-06% change)
linmin: converged after 3 iterations.
iteration 367: trace = 2.429161898126555 (2.67953e-06% change)
linmin: converged after 7 iterations.
iteration 368: trace = 2.429161872295726 (1.06336e-06% change)
large trace change predicted (2.28311e-06%)
linmin: converged after 4 iterations.
iteration 369: trace = 2.429161816835373 (2.28311e-06% change)
linmin: converged after 17 iterations.
iteration 370: trace = 2.42916179829711 (7.63155e-07% change)
linmin: converged after 3 iterations.
iteration 371: trace = 2.429161774001537 (1.00016e-06% change)
linmin: converged after 4 iterations.
iteration 372: trace = 2.429161756942047 (7.02279e-07% change)
linmin: converged after 3 iterations.
iteration 373: trace = 2.429161747951866 (3.70094e-07% change)
linmin: converged after 3 iterations.
iteration 374: trace = 2.429161736740186 (4.61545e-07% change)
large trace change predicted (9.93069e-07%)
linmin: converged after 4 iterations.
iteration 375: trace = 2.429161712617764 (9.93035e-07% change)
linmin: converged after 3 iterations.
iteration 376: trace = 2.429161706277334 (2.61013e-07% change)
large trace change predicted (9.6954e-07%)
linmin: converged after 3 iterations.
iteration 377: trace = 2.429161682726784 (9.69493e-07% change)
linmin: converged after 15 iterations.
iteration 378: trace = 2.42916165696918 (1.06035e-06% change)
linmin: converged after 4 iterations.
iteration 379: trace = 2.429161631436572 (1.05109e-06% change)
linmin: converged after 5 iterations.
iteration 380: trace = 2.429161615532259 (6.54724e-07% change)
large trace change predicted (1.42807e-06%)
linmin: converged after 6 iterations.
iteration 381: trace = 2.429161580845463 (1.42793e-06% change)
linmin: converged after 25 iterations.
iteration 382: trace = 2.429161547566768 (1.36997e-06% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.429161526503495 (8.67101e-07% change)
large trace change predicted (1.92608e-06%)
linmin: converged after 9 iterations.
iteration 384: trace = 2.429161479721524 (1.92585e-06% change)
linmin: converged after 6 iterations.
iteration 385: trace = 2.429161467676568 (4.95848e-07% change)
large trace change predicted (2.38017e-06%)
linmin: converged after 9 iterations.
iteration 386: trace = 2.429161409865471 (2.37988e-06% change)
linmin: converged after 5 iterations.
iteration 387: trace = 2.429161370736981 (1.61078e-06% change)
linmin: converged after 4 iterations.
iteration 388: trace = 2.429161353649504 (7.03431e-07% change)
large trace change predicted (1.69145e-06%)
linmin: converged after 5 iterations.
iteration 389: trace = 2.429161312564659 (1.69132e-06% change)
linmin: converged after 5 iterations.
iteration 390: trace = 2.429161289374483 (9.54658e-07% change)
linmin: converged after 10 iterations.
iteration 391: trace = 2.429161275905912 (5.54454e-07% change)
linmin: converged after 2 iterations.
iteration 392: trace = 2.429161254799956 (8.68858e-07% change)
linmin: converged after 4 iterations.
iteration 393: trace = 2.429161245438828 (3.85365e-07% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.429161229402593 (6.60155e-07% change)
linmin: converged after 23 iterations.
iteration 395: trace = 2.429161219232758 (4.18656e-07% change)
linmin: converged after 3 iterations.
iteration 396: trace = 2.429161208096996 (4.5842e-07% change)
linmin: converged after 21 iterations.
iteration 397: trace = 2.429161201432734 (2.74344e-07% change)
large trace change predicted (9.31855e-07%)
linmin: converged after 4 iterations.
iteration 398: trace = 2.429161178796045 (9.31873e-07% change)
linmin: converged after 18 iterations.
iteration 399: trace = 2.429161174266039 (1.86484e-07% change)
large trace change predicted (1.12087e-06%)
linmin: converged after 29 iterations.
iteration 400: trace = 2.42916114703788 (1.12089e-06% change)
linmin: converged after 7 iterations.
iteration 401: trace = 2.429161116753245 (1.24671e-06% change)
linmin: converged after 28 iterations.
iteration 402: trace = 2.429161103903051 (5.28997e-07% change)
large trace change predicted (1.36412e-06%)
linmin: converged after 3 iterations.
iteration 403: trace = 2.429161070766495 (1.36412e-06% change)
linmin: converged after 6 iterations.
iteration 404: trace = 2.429161031675101 (1.60925e-06% change)
linmin: converged after 5 iterations.
iteration 405: trace = 2.429161018395096 (5.46691e-07% change)
large trace change predicted (2.19263e-06%)
linmin: converged after 4 iterations.
iteration 406: trace = 2.429160965117012 (2.19327e-06% change)
linmin: converged after 10 iterations.
iteration 407: trace = 2.42916094607832 (7.83756e-07% change)
linmin: converged after 14 iterations.
iteration 408: trace = 2.429160915406335 (1.26266e-06% change)
linmin: converged after 6 iterations.
iteration 409: trace = 2.429160890787283 (1.01348e-06% change)
linmin: converged after 10 iterations.
iteration 410: trace = 2.429160865912935 (1.02399e-06% change)
linmin: converged after 4 iterations.
iteration 411: trace = 2.429160859681612 (2.56522e-07% change)
large trace change predicted (1.04374e-06%)
linmin: converged after 3 iterations.
iteration 412: trace = 2.429160834324978 (1.04384e-06% change)
linmin: converged after 13 iterations.
iteration 413: trace = 2.429160822552582 (4.84628e-07% change)
linmin: converged after 3 iterations.
iteration 414: trace = 2.429160810479629 (4.97001e-07% change)
linmin: converged after 2 iterations.
iteration 415: trace = 2.429160794270682 (6.67265e-07% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.429160786868144 (3.04736e-07% change)
linmin: converged after 9 iterations.
iteration 417: trace = 2.429160778191858 (3.57172e-07% change)
linmin: converged after 3 iterations.
iteration 418: trace = 2.429160770947577 (2.98222e-07% change)
large trace change predicted (7.45595e-07%)
linmin: converged after 4 iterations.
iteration 419: trace = 2.429160752836823 (7.45556e-07% change)
resetting CG direction...
linmin: converged after 12 iterations.
iteration 420: trace = 2.429160739586965 (5.4545e-07% change)
linmin: converged after 6 iterations.
iteration 421: trace = 2.429160730537375 (3.7254e-07% change)
linmin: converged after 2 iterations.
iteration 422: trace = 2.429160724763051 (2.37709e-07% change)
linmin: converged after 7 iterations.
iteration 423: trace = 2.429160719570453 (2.13761e-07% change)
large trace change predicted (7.00133e-07%)
linmin: converged after 21 iterations.
iteration 424: trace = 2.429160702563295 (7.00125e-07% change)
linmin: converged after 4 iterations.
iteration 425: trace = 2.429160697115749 (2.24256e-07% change)
large trace change predicted (5.1037e-07%)
linmin: converged after 6 iterations.
iteration 426: trace = 2.42916068471825 (5.10361e-07% change)
linmin: converged after 6 iterations.
iteration 427: trace = 2.429160666635492 (7.44404e-07% change)
linmin: converged after 4 iterations.
iteration 428: trace = 2.429160659172078 (3.07243e-07% change)
linmin: converged after 7 iterations.
iteration 429: trace = 2.429160644444301 (6.06291e-07% change)
linmin: converged after 4 iterations.
iteration 430: trace = 2.429160624952865 (8.02394e-07% change)
linmin: converged after 9 iterations.
iteration 431: trace = 2.429160619104701 (2.40748e-07% change)
large trace change predicted (9.7676e-07%)
linmin: converged after 11 iterations.
iteration 432: trace = 2.429160595379874 (9.76668e-07% change)
linmin: converged after 3 iterations.
iteration 433: trace = 2.4291605797672 (6.42719e-07% change)
linmin: converged after 6 iterations.
iteration 434: trace = 2.429160557386624 (9.2133e-07% change)
linmin: converged after 10 iterations.
iteration 435: trace = 2.429160537761554 (8.07895e-07% change)
linmin: converged after 10 iterations.
iteration 436: trace = 2.429160526861633 (4.48711e-07% change)
linmin: converged after 17 iterations.
iteration 437: trace = 2.429160510496093 (6.73712e-07% change)
linmin: converged after 3 iterations.
iteration 438: trace = 2.429160494711398 (6.498e-07% change)
linmin: converged after 5 iterations.
iteration 439: trace = 2.429160486694368 (3.30033e-07% change)
linmin: converged after 15 iterations.
iteration 440: trace = 2.42916047882103 (3.24118e-07% change)
linmin: converged after 13 iterations.
iteration 441: trace = 2.429160470234992 (3.53457e-07% change)
linmin: converged after 3 iterations.
iteration 442: trace = 2.429160467856385 (9.79189e-08% change)
linmin: converged after 19 iterations.
iteration 443: trace = 2.429160463831151 (1.65705e-07% change)
linmin: converged after 7 iterations.
iteration 444: trace = 2.429160457686066 (2.52972e-07% change)
linmin: converged after 4 iterations.
iteration 445: trace = 2.429160455712316 (8.12523e-08% change)
large trace change predicted (4.03865e-07%)
linmin: converged after 6 iterations.
iteration 446: trace = 2.429160445901539 (4.03875e-07% change)
linmin: converged after 9 iterations.
iteration 447: trace = 2.429160436720489 (3.77952e-07% change)
linmin: converged after 2 iterations.
iteration 448: trace = 2.429160433539449 (1.30952e-07% change)
large trace change predicted (4.12445e-07%)
linmin: converged after 11 iterations.
iteration 449: trace = 2.429160423520147 (4.12459e-07% change)
linmin: converged after 3 iterations.
iteration 450: trace = 2.429160409222536 (5.88582e-07% change)
linmin: converged after 4 iterations.
iteration 451: trace = 2.429160403858268 (2.20828e-07% change)
large trace change predicted (5.3769e-07%)
linmin: converged after 5 iterations.
iteration 452: trace = 2.429160390796208 (5.37719e-07% change)
linmin: converged after 6 iterations.
iteration 453: trace = 2.429160369243609 (8.87245e-07% change)
linmin: converged after 5 iterations.
iteration 454: trace = 2.429160365273726 (1.63426e-07% change)
large trace change predicted (6.34754e-07%)
linmin: converged after 9 iterations.
iteration 455: trace = 2.429160349852637 (6.34832e-07% change)
linmin: converged after 2 iterations.
iteration 456: trace = 2.429160340465358 (3.86441e-07% change)
linmin: converged after 17 iterations.
iteration 457: trace = 2.429160335681417 (1.96938e-07% change)
linmin: converged after 4 iterations.
iteration 458: trace = 2.429160328469846 (2.96875e-07% change)
linmin: converged after 8 iterations.
iteration 459: trace = 2.42916032225174 (2.55978e-07% change)
linmin: converged after 19 iterations.
iteration 460: trace = 2.42916031538806 (2.82554e-07% change)
linmin: converged after 5 iterations.
iteration 461: trace = 2.429160307051307 (3.43195e-07% change)
linmin: converged after 8 iterations.
iteration 462: trace = 2.429160304951536 (8.64402e-08% change)
large trace change predicted (2.06878e-07%)
linmin: converged after 3 iterations.
iteration 463: trace = 2.429160299926093 (2.0688e-07% change)
linmin: converged after 6 iterations.
iteration 464: trace = 2.429160295228535 (1.93382e-07% change)
linmin: converged after 9 iterations.
iteration 465: trace = 2.429160292940201 (9.42027e-08% change)
linmin: converged after 4 iterations.
iteration 466: trace = 2.429160289924876 (1.2413e-07% change)
linmin: converged after 9 iterations.
iteration 467: trace = 2.429160284427077 (2.26325e-07% change)
linmin: converged after 2 iterations.
iteration 468: trace = 2.429160283390882 (4.26565e-08% change)
large trace change predicted (3.37778e-07%)
linmin: converged after 10 iterations.
iteration 469: trace = 2.429160275185771 (3.37776e-07% change)
linmin: converged after 6 iterations.
iteration 470: trace = 2.429160272626115 (1.05372e-07% change)
large trace change predicted (4.14223e-07%)
linmin: converged after 3 iterations.
iteration 471: trace = 2.429160262564194 (4.14214e-07% change)
linmin: converged after 3 iterations.
iteration 472: trace = 2.429160251210739 (4.67382e-07% change)
linmin: converged after 6 iterations.
iteration 473: trace = 2.42916023576294 (6.35932e-07% change)
linmin: converged after 3 iterations.
iteration 474: trace = 2.429160231032962 (1.94717e-07% change)
large trace change predicted (6.67413e-07%)
linmin: converged after 20 iterations.
iteration 475: trace = 2.429160214821227 (6.6738e-07% change)
linmin: converged after 4 iterations.
iteration 476: trace = 2.429160203867546 (4.50925e-07% change)
linmin: converged after 4 iterations.
iteration 477: trace = 2.429160199322132 (1.87119e-07% change)
large trace change predicted (3.81325e-07%)
linmin: converged after 27 iterations.
iteration 478: trace = 2.429160190059395 (3.81314e-07% change)
linmin: converged after 4 iterations.
iteration 479: trace = 2.429160184963958 (2.09761e-07% change)
linmin: converged after 4 iterations.
iteration 480: trace = 2.429160182536235 (9.99409e-08% change)
linmin: converged after 5 iterations.
iteration 481: trace = 2.429160178153689 (1.80414e-07% change)
linmin: converged after 3 iterations.
iteration 482: trace = 2.429160173265569 (2.01227e-07% change)
linmin: converged after 6 iterations.
iteration 483: trace = 2.429160168444519 (1.98466e-07% change)
linmin: converged after 31 iterations.
iteration 484: trace = 2.429160162554148 (2.42486e-07% change)
linmin: converged after 15 iterations.
iteration 485: trace = 2.42916016098529 (6.45844e-08% change)
large trace change predicted (1.51359e-07%)
linmin: converged after 3 iterations.
iteration 486: trace = 2.429160157308518 (1.5136e-07% change)
linmin: converged after 21 iterations.
iteration 487: trace = 2.429160152064144 (2.15892e-07% change)
linmin: converged after 13 iterations.
iteration 488: trace = 2.429160150600116 (6.02689e-08% change)
large trace change predicted (1.65788e-07%)
linmin: converged after 3 iterations.
iteration 489: trace = 2.429160146572889 (1.65787e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.429160143109999 (1.42555e-07% change)
linmin: converged after 13 iterations.
iteration 491: trace = 2.429160141774804 (5.49653e-08% change)
large trace change predicted (1.87946e-07%)
linmin: converged after 16 iterations.
iteration 492: trace = 2.429160137209224 (1.87949e-07% change)
linmin: converged after 3 iterations.
iteration 493: trace = 2.429160134545369 (1.09662e-07% change)
linmin: converged after 5 iterations.
iteration 494: trace = 2.429160132729607 (7.47485e-08% change)
large trace change predicted (2.19501e-07%)
linmin: converged after 8 iterations.
iteration 495: trace = 2.429160127397544 (2.19502e-07% change)
linmin: converged after 16 iterations.
iteration 496: trace = 2.429160125965343 (5.89587e-08% change)
large trace change predicted (2.6351e-07%)
linmin: converged after 3 iterations.
iteration 497: trace = 2.429160119564294 (2.63509e-07% change)
linmin: converged after 8 iterations.
iteration 498: trace = 2.429160116734033 (1.16512e-07% change)
linmin: converged after 3 iterations.
iteration 499: trace = 2.429160115191659 (6.34941e-08% change)
large trace change predicted (1.9236e-07%)
linmin: converged after 3 iterations.
iteration 500: trace = 2.429160110518885 (1.92362e-07% change)
linmin: converged after 12 iterations.
iteration 501: trace = 2.429160105528207 (2.05449e-07% change)
linmin: converged after 15 iterations.
iteration 502: trace = 2.429160102894765 (1.0841e-07% change)
large trace change predicted (3.11111e-07%)
linmin: converged after 23 iterations.
iteration 503: trace = 2.429160095337199 (3.11118e-07% change)
linmin: converged after 6 iterations.
iteration 504: trace = 2.429160092159261 (1.30825e-07% change)
large trace change predicted (3.09998e-07%)
linmin: converged after 5 iterations.
iteration 505: trace = 2.42916008462877 (3.10004e-07% change)
linmin: converged after 7 iterations.
iteration 506: trace = 2.42916007621103 (3.46529e-07% change)
linmin: converged after 3 iterations.
iteration 507: trace = 2.429160071827713 (1.80446e-07% change)
linmin: converged after 7 iterations.
iteration 508: trace = 2.429160067386099 (1.82846e-07% change)
linmin: converged after 4 iterations.
iteration 509: trace = 2.42916006115866 (2.56362e-07% change)
linmin: converged after 4 iterations.
iteration 510: trace = 2.429160059047279 (8.69181e-08% change)
linmin: converged after 4 iterations.
iteration 511: trace = 2.429160056746093 (9.47318e-08% change)
linmin: converged after 4 iterations.
iteration 512: trace = 2.429160054673741 (8.53115e-08% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.429160053823607 (3.4997e-08% change)
linmin: converged after 4 iterations.
iteration 514: trace = 2.429160052906892 (3.77379e-08% change)
large trace change predicted (1.10361e-07%)
linmin: converged after 7 iterations.
iteration 515: trace = 2.429160050226149 (1.10357e-07% change)
linmin: converged after 8 iterations.
iteration 516: trace = 2.429160049619317 (2.49812e-08% change)
large trace change predicted (1.03891e-07%)
linmin: converged after 4 iterations.
iteration 517: trace = 2.429160047095664 (1.0389e-07% change)
linmin: converged after 8 iterations.
iteration 518: trace = 2.42916004369386 (1.4004e-07% change)
linmin: converged after 6 iterations.
iteration 519: trace = 2.429160042766972 (3.81567e-08% change)
large trace change predicted (1.87188e-07%)
linmin: converged after 4 iterations.
iteration 520: trace = 2.429160038220054 (1.87181e-07% change)
linmin: converged after 6 iterations.
iteration 521: trace = 2.429160035383047 (1.1679e-07% change)
linmin: converged after 7 iterations.
iteration 522: trace = 2.429160031368913 (1.65248e-07% change)
linmin: converged after 14 iterations.
iteration 523: trace = 2.429160029550924 (7.48402e-08% change)
large trace change predicted (1.99251e-07%)
linmin: converged after 7 iterations.
iteration 524: trace = 2.429160024711098 (1.99239e-07% change)
linmin: converged after 9 iterations.
iteration 525: trace = 2.429160023518538 (4.90935e-08% change)
large trace change predicted (2.43829e-07%)
linmin: converged after 4 iterations.
iteration 526: trace = 2.429160017595835 (2.43817e-07% change)
linmin: converged after 8 iterations.
iteration 527: trace = 2.429160012997484 (1.89298e-07% change)
linmin: converged after 4 iterations.
iteration 528: trace = 2.429160010747484 (9.26246e-08% change)
linmin: converged after 7 iterations.
iteration 529: trace = 2.429160007290114 (1.42328e-07% change)
linmin: converged after 6 iterations.
iteration 530: trace = 2.429160004353959 (1.20871e-07% change)
linmin: converged after 13 iterations.
iteration 531: trace = 2.4291600034548 (3.70152e-08% change)
large trace change predicted (9.26542e-08%)
linmin: converged after 6 iterations.
iteration 532: trace = 2.429160001204094 (9.26537e-08% change)
linmin: converged after 4 iterations.
iteration 533: trace = 2.429159999953416 (5.1486e-08% change)
linmin: converged after 30 iterations.
iteration 534: trace = 2.429159998640363 (5.40538e-08% change)
linmin: converged after 2 iterations.
iteration 535: trace = 2.429159997603382 (4.26888e-08% change)
linmin: converged after 4 iterations.
iteration 536: trace = 2.429159996198432 (5.78369e-08% change)
linmin: converged after 3 iterations.
iteration 537: trace = 2.429159995773238 (1.75037e-08% change)
large trace change predicted (1.01276e-07%)
linmin: converged after 12 iterations.
iteration 538: trace = 2.429159993313064 (1.01277e-07% change)
linmin: converged after 7 iterations.
iteration 539: trace = 2.42915999214017 (4.82839e-08% change)
large trace change predicted (9.70116e-08%)
linmin: converged after 4 iterations.
iteration 540: trace = 2.429159989783568 (9.7013e-08% change)
linmin: converged after 4 iterations.
iteration 541: trace = 2.429159986517198 (1.34465e-07% change)
linmin: converged after 2 iterations.
iteration 542: trace = 2.429159985396192 (4.61479e-08% change)
large trace change predicted (1.71976e-07%)
linmin: converged after 4 iterations.
iteration 543: trace = 2.429159981218528 (1.7198e-07% change)
linmin: converged after 17 iterations.
iteration 544: trace = 2.429159977633575 (1.4758e-07% change)
linmin: converged after 4 iterations.
iteration 545: trace = 2.429159976264367 (5.63655e-08% change)
large trace change predicted (2.14959e-07%)
linmin: converged after 10 iterations.
iteration 546: trace = 2.429159971042408 (2.1497e-07% change)
linmin: converged after 7 iterations.
iteration 547: trace = 2.429159967060587 (1.63918e-07% change)
linmin: converged after 9 iterations.
iteration 548: trace = 2.42915996621577 (3.47781e-08% change)
large trace change predicted (1.35427e-07%)
linmin: converged after 6 iterations.
iteration 549: trace = 2.429159962925931 (1.35431e-07% change)
linmin: converged after 32 iterations.
iteration 550: trace = 2.429159961511705 (5.82187e-08% change)
linmin: converged after 9 iterations.
iteration 551: trace = 2.429159960614168 (3.69484e-08% change)
large trace change predicted (1.1284e-07%)
linmin: converged after 10 iterations.
iteration 552: trace = 2.429159957873047 (1.12842e-07% change)
linmin: converged after 4 iterations.
iteration 553: trace = 2.429159956828478 (4.30013e-08% change)
linmin: converged after 4 iterations.
iteration 554: trace = 2.429159955707717 (4.61378e-08% change)
linmin: converged after 4 iterations.
iteration 555: trace = 2.429159953635327 (8.5313e-08% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.429159952567418 (4.39621e-08% change)
linmin: converged after 4 iterations.
iteration 557: trace = 2.42915995209386 (1.94947e-08% change)
linmin: converged after 3 iterations.
iteration 558: trace = 2.429159951198521 (3.6858e-08% change)
large trace change predicted (1.36283e-07%)
linmin: converged after 8 iterations.
iteration 559: trace = 2.429159947887974 (1.36284e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 560: trace = 2.429159945619617 (9.33803e-08% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.429159944225417 (5.73943e-08% change)
linmin: converged after 6 iterations.
iteration 562: trace = 2.429159943810292 (1.70893e-08% change)
linmin: converged after 4 iterations.
iteration 563: trace = 2.429159943266191 (2.23987e-08% change)
large trace change predicted (8.02862e-08%)
linmin: converged after 5 iterations.
iteration 564: trace = 2.429159941315925 (8.02856e-08% change)
linmin: converged after 4 iterations.
iteration 565: trace = 2.429159940820047 (2.04136e-08% change)
large trace change predicted (6.08647e-08%)
linmin: converged after 4 iterations.
iteration 566: trace = 2.429159939341557 (6.08643e-08% change)
linmin: converged after 14 iterations.
iteration 567: trace = 2.429159937987567 (5.5739e-08% change)
linmin: converged after 4 iterations.
iteration 568: trace = 2.429159937489906 (2.0487e-08% change)
large trace change predicted (7.53502e-08%)
linmin: converged after 10 iterations.
iteration 569: trace = 2.429159935659628 (7.53461e-08% change)
linmin: converged after 5 iterations.
iteration 570: trace = 2.42915993421171 (5.96057e-08% change)
linmin: converged after 3 iterations.
iteration 571: trace = 2.429159933553923 (2.70788e-08% change)
large trace change predicted (1.16014e-07%)
linmin: converged after 15 iterations.
iteration 572: trace = 2.429159930735858 (1.1601e-07% change)
linmin: converged after 11 iterations.
iteration 573: trace = 2.42915992974513 (4.07848e-08% change)
large trace change predicted (1.21538e-07%)
linmin: converged after 26 iterations.
iteration 574: trace = 2.429159926792872 (1.21534e-07% change)
linmin: converged after 14 iterations.
iteration 575: trace = 2.429159924762228 (8.35945e-08% change)
linmin: converged after 11 iterations.
iteration 576: trace = 2.429159922770588 (8.19889e-08% change)
linmin: converged after 7 iterations.
iteration 577: trace = 2.42915992195133 (3.3726e-08% change)
large trace change predicted (7.86519e-08%)
linmin: converged after 4 iterations.
iteration 578: trace = 2.429159920040788 (7.86503e-08% change)
linmin: converged after 6 iterations.
iteration 579: trace = 2.429159919300949 (3.04566e-08% change)
linmin: converged after 4 iterations.
iteration 580: trace = 2.429159918469713 (3.4219e-08% change)
linmin: converged after 19 iterations.
iteration 581: trace = 2.429159917560508 (3.74288e-08% change)
linmin: converged after 6 iterations.
iteration 582: trace = 2.429159917268661 (1.20143e-08% change)
linmin: converged after 3 iterations.
iteration 583: trace = 2.429159916816157 (1.8628e-08% change)
linmin: converged after 6 iterations.
iteration 584: trace = 2.429159916258878 (2.29412e-08% change)
linmin: converged after 5 iterations.
iteration 585: trace = 2.42915991547506 (3.2267e-08% change)
linmin: converged after 14 iterations.
iteration 586: trace = 2.429159915268955 (8.48465e-09% change)
large trace change predicted (4.5446e-08%)
linmin: converged after 24 iterations.
iteration 587: trace = 2.429159914164989 (4.54464e-08% change)
linmin: converged after 5 iterations.
iteration 588: trace = 2.429159913628775 (2.20741e-08% change)
linmin: converged after 5 iterations.
iteration 589: trace = 2.429159913056678 (2.35512e-08% change)
large trace change predicted (5.75605e-08%)
linmin: converged after 4 iterations.
iteration 590: trace = 2.429159911658389 (5.75626e-08% change)
linmin: converged after 4 iterations.
iteration 591: trace = 2.429159910347674 (5.39576e-08% change)
linmin: converged after 6 iterations.
iteration 592: trace = 2.429159909650985 (2.86802e-08% change)
large trace change predicted (8.3773e-08%)
linmin: converged after 17 iterations.
iteration 593: trace = 2.429159907615959 (8.37749e-08% change)
linmin: converged after 6 iterations.
iteration 594: trace = 2.429159907006183 (2.51023e-08% change)
large trace change predicted (7.01285e-08%)
linmin: converged after 4 iterations.
iteration 595: trace = 2.429159905302602 (7.01305e-08% change)
linmin: converged after 16 iterations.
iteration 596: trace = 2.429159904225642 (4.43347e-08% change)
linmin: converged after 6 iterations.
iteration 597: trace = 2.429159903421816 (3.30907e-08% change)
linmin: converged after 4 iterations.
iteration 598: trace = 2.429159902865782 (2.289e-08% change)
large trace change predicted (4.80762e-08%)
linmin: converged after 2 iterations.
iteration 599: trace = 2.429159901697921 (4.80767e-08% change)
linmin: converged after 4 iterations.
iteration 600: trace = 2.429159901434025 (1.08637e-08% change)
large trace change predicted (3.87386e-08%)
linmin: converged after 4 iterations.
iteration 601: trace = 2.429159900492991 (3.87391e-08% change)
linmin: converged after 12 iterations.
iteration 602: trace = 2.429159899823337 (2.75673e-08% change)
linmin: converged after 13 iterations.
iteration 603: trace = 2.429159899480456 (1.41152e-08% change)
linmin: converged after 5 iterations.
iteration 604: trace = 2.429159899170993 (1.27395e-08% change)
linmin: converged after 4 iterations.
iteration 605: trace = 2.429159898725686 (1.83317e-08% change)
linmin: converged after 4 iterations.
iteration 606: trace = 2.429159898475882 (1.02835e-08% change)
linmin: converged after 3 iterations.
iteration 607: trace = 2.429159898219494 (1.05546e-08% change)
large trace change predicted (2.7167e-08%)
linmin: converged after 4 iterations.
iteration 608: trace = 2.429159897559575 (2.71666e-08% change)
linmin: converged after 13 iterations.
iteration 609: trace = 2.429159897437141 (5.04016e-09% change)
large trace change predicted (4.4209e-08%)
linmin: converged after 7 iterations.
iteration 610: trace = 2.429159896363256 (4.42081e-08% change)
linmin: converged after 8 iterations.
iteration 611: trace = 2.429159895991292 (1.53125e-08% change)
large trace change predicted (3.77759e-08%)
linmin: converged after 15 iterations.
iteration 612: trace = 2.429159895073667 (3.77754e-08% change)
linmin: converged after 4 iterations.
iteration 613: trace = 2.429159893485998 (6.53588e-08% change)
linmin: converged after 15 iterations.
iteration 614: trace = 2.429159891590764 (7.80202e-08% change)
linmin: converged after 4 iterations.
iteration 615: trace = 2.429159891078084 (2.11052e-08% change)
large trace change predicted (4.72098e-08%)
linmin: converged after 4 iterations.
iteration 616: trace = 2.429159889931285 (4.72097e-08% change)
linmin: converged after 4 iterations.
iteration 617: trace = 2.429159889318 (2.52468e-08% change)
linmin: converged after 30 iterations.
iteration 618: trace = 2.429159888699695 (2.54534e-08% change)
linmin: converged after 7 iterations.
iteration 619: trace = 2.42915988808479 (2.53135e-08% change)
linmin: converged after 3 iterations.
iteration 620: trace = 2.429159887817831 (1.09898e-08% change)
linmin: converged after 4 iterations.
iteration 621: trace = 2.429159887443118 (1.54256e-08% change)
large trace change predicted (3.52274e-08%)
linmin: converged after 6 iterations.
iteration 622: trace = 2.429159886587396 (3.52271e-08% change)
linmin: converged after 4 iterations.
iteration 623: trace = 2.429159886219932 (1.51272e-08% change)
linmin: converged after 4 iterations.
iteration 624: trace = 2.429159885948714 (1.11651e-08% change)
linmin: converged after 5 iterations.
iteration 625: trace = 2.429159885480614 (1.927e-08% change)
linmin: converged after 3 iterations.
iteration 626: trace = 2.429159885063529 (1.71699e-08% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.429159884801017 (1.08067e-08% change)
linmin: converged after 24 iterations.
iteration 628: trace = 2.429159884308785 (2.02635e-08% change)
linmin: converged after 4 iterations.
iteration 629: trace = 2.42915988409879 (8.64476e-09% change)
resetting CG direction...
linmin: converged after 29 iterations.
iteration 630: trace = 2.429159883923386 (7.22077e-09% change)
large trace change predicted (1.59748e-08%)
linmin: converged after 10 iterations.
iteration 631: trace = 2.429159883535328 (1.5975e-08% change)
linmin: converged after 4 iterations.
iteration 632: trace = 2.429159883309192 (9.30923e-09% change)
linmin: converged after 14 iterations.
iteration 633: trace = 2.429159882988082 (1.3219e-08% change)
linmin: converged after 4 iterations.
iteration 634: trace = 2.429159882496865 (2.02217e-08% change)
linmin: converged after 2 iterations.
iteration 635: trace = 2.429159882247063 (1.02835e-08% change)
linmin: converged after 25 iterations.
iteration 636: trace = 2.429159881992391 (1.0484e-08% change)
large trace change predicted (2.88008e-08%)
linmin: converged after 6 iterations.
iteration 637: trace = 2.429159881292772 (2.88008e-08% change)
linmin: converged after 10 iterations.
iteration 638: trace = 2.429159880957295 (1.38104e-08% change)
linmin: converged after 5 iterations.
iteration 639: trace = 2.429159880728038 (9.43771e-09% change)
linmin: converged after 11 iterations.
iteration 640: trace = 2.429159880344708 (1.57804e-08% change)
linmin: converged after 13 iterations.
iteration 641: trace = 2.429159879948127 (1.63258e-08% change)
linmin: converged after 7 iterations.
iteration 642: trace = 2.429159879561123 (1.59316e-08% change)
large trace change predicted (3.48015e-08%)
linmin: converged after 4 iterations.
iteration 643: trace = 2.429159878715728 (3.48019e-08% change)
linmin: converged after 4 iterations.
iteration 644: trace = 2.429159878436534 (1.14935e-08% change)
large trace change predicted (3.45312e-08%)
linmin: converged after 7 iterations.
iteration 645: trace = 2.429159877597703 (3.45317e-08% change)
linmin: converged after 6 iterations.
iteration 646: trace = 2.429159876729011 (3.5761e-08% change)
linmin: converged after 8 iterations.
iteration 647: trace = 2.429159876464457 (1.08907e-08% change)
large trace change predicted (2.41291e-08%)
linmin: converged after 2 iterations.
iteration 648: trace = 2.429159875878322 (2.41291e-08% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.429159875298402 (2.38733e-08% change)
linmin: converged after 3 iterations.
iteration 650: trace = 2.429159875204298 (3.87391e-09% change)
large trace change predicted (1.46253e-08%)
linmin: converged after 4 iterations.
iteration 651: trace = 2.429159874849023 (1.46254e-08% change)
linmin: converged after 11 iterations.
iteration 652: trace = 2.429159874748661 (4.13155e-09% change)
linmin: converged after 27 iterations.
iteration 653: trace = 2.429159874562753 (7.65319e-09% change)
linmin: converged after 4 iterations.
iteration 654: trace = 2.429159874428725 (5.51746e-09% change)
linmin: converged after 4 iterations.
iteration 655: trace = 2.429159874216798 (8.72429e-09% change)
linmin: converged after 2 iterations.
iteration 656: trace = 2.429159874102526 (4.70418e-09% change)
large trace change predicted (1.32912e-08%)
linmin: converged after 9 iterations.
iteration 657: trace = 2.429159873779663 (1.32911e-08% change)
linmin: converged after 24 iterations.
iteration 658: trace = 2.429159873549111 (9.49102e-09% change)
linmin: converged after 6 iterations.
iteration 659: trace = 2.429159873373596 (7.22536e-09% change)
large trace change predicted (2.2156e-08%)
linmin: converged after 19 iterations.
iteration 660: trace = 2.429159872835396 (2.21558e-08% change)
linmin: converged after 3 iterations.
iteration 661: trace = 2.429159872705757 (5.33676e-09% change)
large trace change predicted (1.60297e-08%)
linmin: converged after 31 iterations.
iteration 662: trace = 2.429159872316372 (1.60296e-08% change)
linmin: converged after 10 iterations.
iteration 663: trace = 2.429159871935425 (1.56823e-08% change)
linmin: converged after 7 iterations.
iteration 664: trace = 2.429159871486376 (1.84858e-08% change)
linmin: converged after 6 iterations.
iteration 665: trace = 2.429159871357078 (5.32276e-09% change)
large trace change predicted (3.18053e-08%)
linmin: converged after 5 iterations.
iteration 666: trace = 2.429159870584503 (3.18042e-08% change)
linmin: converged after 6 iterations.
iteration 667: trace = 2.429159870173317 (1.69271e-08% change)
linmin: converged after 4 iterations.
iteration 668: trace = 2.429159869950629 (9.16731e-09% change)
linmin: converged after 4 iterations.
iteration 669: trace = 2.429159869614651 (1.3831e-08% change)
linmin: converged after 8 iterations.
iteration 670: trace = 2.429159869436647 (7.32781e-09% change)
linmin: converged after 14 iterations.
iteration 671: trace = 2.429159869217567 (9.01873e-09% change)
linmin: converged after 15 iterations.
iteration 672: trace = 2.429159869002919 (8.8363e-09% change)
linmin: converged after 16 iterations.
iteration 673: trace = 2.42915986891721 (3.52835e-09% change)
large trace change predicted (7.80294e-09%)
linmin: converged after 4 iterations.
iteration 674: trace = 2.429159868727664 (7.80293e-09% change)
linmin: converged after 24 iterations.
iteration 675: trace = 2.429159868574475 (6.30627e-09% change)
linmin: converged after 21 iterations.
iteration 676: trace = 2.429159868526776 (1.96361e-09% change)
linmin: converged after 9 iterations.
iteration 677: trace = 2.429159868433023 (3.85948e-09% change)
large trace change predicted (9.62991e-09%)
linmin: converged after 18 iterations.
iteration 678: trace = 2.429159868199096 (9.62996e-09% change)
linmin: converged after 4 iterations.
iteration 679: trace = 2.429159868151658 (1.95284e-09% change)
large trace change predicted (1.36815e-08%)
linmin: converged after 4 iterations.
iteration 680: trace = 2.429159867819307 (1.36817e-08% change)
linmin: converged after 6 iterations.
iteration 681: trace = 2.429159867476866 (1.40971e-08% change)
linmin: converged after 23 iterations.
iteration 682: trace = 2.429159867353786 (5.06676e-09% change)
large trace change predicted (1.91499e-08%)
linmin: converged after 9 iterations.
iteration 683: trace = 2.429159866888595 (1.91503e-08% change)
linmin: converged after 7 iterations.
iteration 684: trace = 2.429159866552485 (1.38365e-08% change)
linmin: converged after 18 iterations.
iteration 685: trace = 2.429159866404837 (6.07814e-09% change)
large trace change predicted (1.86731e-08%)
linmin: converged after 4 iterations.
iteration 686: trace = 2.429159865951227 (1.86736e-08% change)
linmin: converged after 23 iterations.
iteration 687: trace = 2.429159865647892 (1.24872e-08% change)
linmin: converged after 8 iterations.
iteration 688: trace = 2.429159865493814 (6.34284e-09% change)
large trace change predicted (1.51764e-08%)
linmin: converged after 4 iterations.
iteration 689: trace = 2.42915986512515 (1.51766e-08% change)
linmin: converged after 31 iterations.
iteration 690: trace = 2.429159864961798 (6.72467e-09% change)
linmin: converged after 13 iterations.
iteration 691: trace = 2.429159864877884 (3.45444e-09% change)
large trace change predicted (1.31379e-08%)
linmin: converged after 10 iterations.
iteration 692: trace = 2.429159864558741 (1.3138e-08% change)
linmin: converged after 8 iterations.
iteration 693: trace = 2.429159864388079 (7.02554e-09% change)
linmin: converged after 15 iterations.
iteration 694: trace = 2.429159864329951 (2.39295e-09% change)
large trace change predicted (7.26982e-09%)
linmin: converged after 28 iterations.
iteration 695: trace = 2.429159864153355 (7.26982e-09% change)
linmin: converged after 14 iterations.
iteration 696: trace = 2.429159864047011 (4.37782e-09% change)
linmin: converged after 4 iterations.
iteration 697: trace = 2.42915986398621 (2.50293e-09% change)
linmin: converged after 7 iterations.
iteration 698: trace = 2.429159863893809 (3.80383e-09% change)
large trace change predicted (1.34954e-08%)
linmin: converged after 20 iterations.
iteration 699: trace = 2.429159863565991 (1.34951e-08% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 700: trace = 2.429159863368707 (8.12149e-09% change)
linmin: converged after 12 iterations.
iteration 701: trace = 2.429159863198481 (7.00765e-09% change)
linmin: converged after 21 iterations.
iteration 702: trace = 2.429159863161707 (1.51383e-09% change)
large trace change predicted (3.28016e-09%)
linmin: converged after 4 iterations.
iteration 703: trace = 2.429159863082028 (3.2801e-09% change)
large trace change predicted (6.83995e-09%)
linmin: converged after 4 iterations.
iteration 704: trace = 2.429159862915878 (6.83984e-09% change)
linmin: converged after 18 iterations.
iteration 705: trace = 2.429159862882806 (1.36145e-09% change)
large trace change predicted (7.31193e-09%)
linmin: converged after 20 iterations.
iteration 706: trace = 2.429159862705189 (7.31187e-09% change)
linmin: converged after 3 iterations.
iteration 707: trace = 2.429159862567829 (5.65464e-09% change)
linmin: converged after 33 iterations.
iteration 708: trace = 2.42915986249851 (2.85359e-09% change)
large trace change predicted (8.25612e-09%)
linmin: converged after 6 iterations.
iteration 709: trace = 2.429159862297957 (8.25608e-09% change)
linmin: converged after 2 iterations.
iteration 710: trace = 2.429159862167181 (5.38356e-09% change)
linmin: converged after 28 iterations.
iteration 711: trace = 2.429159862072796 (3.88552e-09% change)
large trace change predicted (1.01987e-08%)
linmin: converged after 4 iterations.
iteration 712: trace = 2.429159861825058 (1.01985e-08% change)
linmin: converged after 6 iterations.
iteration 713: trace = 2.429159861654926 (7.00372e-09% change)
linmin: converged after 4 iterations.
iteration 714: trace = 2.429159861493386 (6.65006e-09% change)
linmin: converged after 7 iterations.
iteration 715: trace = 2.42915986120419 (1.19052e-08% change)
linmin: converged after 6 iterations.
iteration 716: trace = 2.42915986112252 (3.36206e-09% change)
large trace change predicted (7.07413e-09%)
linmin: converged after 7 iterations.
iteration 717: trace = 2.42915986095068 (7.07405e-09% change)
linmin: converged after 12 iterations.
iteration 718: trace = 2.429159860700708 (1.02905e-08% change)
linmin: converged after 18 iterations.
iteration 719: trace = 2.429159860617927 (3.4078e-09% change)
linmin: converged after 23 iterations.
iteration 720: trace = 2.429159860521937 (3.95157e-09% change)
linmin: converged after 16 iterations.
iteration 721: trace = 2.429159860440143 (3.36716e-09% change)
linmin: converged after 4 iterations.
iteration 722: trace = 2.429159860417119 (9.47828e-10% change)
large trace change predicted (3.15202e-09%)
linmin: converged after 4 iterations.
iteration 723: trace = 2.429159860340548 (3.15215e-09% change)
linmin: converged after 15 iterations.
iteration 724: trace = 2.429159860295953 (1.83584e-09% change)
linmin: converged after 9 iterations.
iteration 725: trace = 2.429159860239705 (2.31553e-09% change)
linmin: converged after 6 iterations.
iteration 726: trace = 2.429159860196932 (1.76081e-09% change)
large trace change predicted (5.06939e-09%)
linmin: converged after 6 iterations.
iteration 727: trace = 2.429159860073788 (5.06943e-09% change)
linmin: converged after 22 iterations.
iteration 728: trace = 2.42915986005199 (8.97334e-10% change)
large trace change predicted (5.36955e-09%)
linmin: converged after 4 iterations.
iteration 729: trace = 2.429159859921552 (5.36969e-09% change)
linmin: converged after 4 iterations.
iteration 730: trace = 2.429159859801484 (4.94278e-09% change)
linmin: converged after 4 iterations.
iteration 731: trace = 2.429159859628455 (7.12299e-09% change)
linmin: converged after 11 iterations.
iteration 732: trace = 2.429159859563245 (2.68447e-09% change)
large trace change predicted (7.67191e-09%)
linmin: converged after 4 iterations.
iteration 733: trace = 2.429159859376881 (7.67195e-09% change)
linmin: converged after 4 iterations.
iteration 734: trace = 2.429159859252292 (5.1289e-09% change)
linmin: converged after 5 iterations.
iteration 735: trace = 2.429159859139257 (4.65325e-09% change)
linmin: converged after 7 iterations.
iteration 736: trace = 2.42915985900953 (5.34042e-09% change)
linmin: converged after 18 iterations.
iteration 737: trace = 2.429159858931232 (3.22323e-09% change)
linmin: converged after 4 iterations.
iteration 738: trace = 2.429159858883374 (1.97017e-09% change)
large trace change predicted (5.35956e-09%)
linmin: converged after 9 iterations.
iteration 739: trace = 2.42915985875318 (5.35963e-09% change)
linmin: converged after 4 iterations.
iteration 740: trace = 2.429159858672493 (3.32158e-09% change)
linmin: converged after 16 iterations.
iteration 741: trace = 2.429159858617272 (2.27326e-09% change)
linmin: converged after 20 iterations.
iteration 742: trace = 2.429159858552005 (2.68681e-09% change)
linmin: converged after 9 iterations.
iteration 743: trace = 2.429159858526139 (1.06479e-09% change)
linmin: converged after 7 iterations.
iteration 744: trace = 2.429159858485464 (1.67447e-09% change)
linmin: converged after 17 iterations.
iteration 745: trace = 2.429159858428432 (2.34781e-09% change)
linmin: converged after 4 iterations.
iteration 746: trace = 2.429159858394494 (1.3971e-09% change)
linmin: converged after 2 iterations.
iteration 747: trace = 2.429159858376924 (7.23293e-10% change)
large trace change predicted (2.67914e-09%)
linmin: converged after 11 iterations.
iteration 748: trace = 2.429159858311844 (2.67913e-09% change)
linmin: converged after 6 iterations.
iteration 749: trace = 2.429159858297105 (6.06748e-10% change)
large trace change predicted (4.60515e-09%)
linmin: converged after 8 iterations.
iteration 750: trace = 2.429159858185237 (4.60519e-09% change)
linmin: converged after 25 iterations.
iteration 751: trace = 2.429159858070221 (4.73484e-09% change)
linmin: converged after 13 iterations.
iteration 752: trace = 2.429159857999704 (2.90293e-09% change)
linmin: converged after 14 iterations.
iteration 753: trace = 2.429159857874695 (5.14616e-09% change)
linmin: converged after 4 iterations.
iteration 754: trace = 2.429159857737366 (5.65336e-09% change)
linmin: converged after 4 iterations.
iteration 755: trace = 2.429159857643179 (3.87734e-09% change)
linmin: converged after 15 iterations.
iteration 756: trace = 2.42915985751941 (5.09514e-09% change)
linmin: converged after 4 iterations.
iteration 757: trace = 2.429159857414316 (4.32634e-09% change)
linmin: converged after 4 iterations.
iteration 758: trace = 2.429159857390589 (9.76786e-10% change)
large trace change predicted (2.9025e-09%)
linmin: converged after 8 iterations.
iteration 759: trace = 2.429159857320083 (2.90248e-09% change)
linmin: converged after 17 iterations.
iteration 760: trace = 2.429159857269182 (2.09542e-09% change)
linmin: converged after 3 iterations.
iteration 761: trace = 2.429159857240542 (1.179e-09% change)
linmin: converged after 21 iterations.
iteration 762: trace = 2.429159857183744 (2.33818e-09% change)
linmin: converged after 4 iterations.
iteration 763: trace = 2.429159857119314 (2.65237e-09% change)
linmin: converged after 4 iterations.
iteration 764: trace = 2.42915985710589 (5.52598e-10% change)
large trace change predicted (3.08551e-09%)
linmin: converged after 14 iterations.
iteration 765: trace = 2.429159857030935 (3.08562e-09% change)
linmin: converged after 3 iterations.
iteration 766: trace = 2.429159856986197 (1.84172e-09% change)
linmin: converged after 4 iterations.
iteration 767: trace = 2.429159856963364 (9.39967e-10% change)
linmin: converged after 3 iterations.
iteration 768: trace = 2.429159856926341 (1.52408e-09% change)
large trace change predicted (3.62215e-09%)
linmin: converged after 3 iterations.
iteration 769: trace = 2.429159856838353 (3.62219e-09% change)
resetting CG direction...
linmin: converged after 8 iterations.
iteration 770: trace = 2.429159856799472 (1.60059e-09% change)
linmin: converged after 4 iterations.
iteration 771: trace = 2.429159856746584 (2.17719e-09% change)
linmin: converged after 15 iterations.
iteration 772: trace = 2.429159856716447 (1.24064e-09% change)
linmin: converged after 4 iterations.
iteration 773: trace = 2.429159856692969 (9.66493e-10% change)
linmin: converged after 22 iterations.
iteration 774: trace = 2.429159856646284 (1.92189e-09% change)
linmin: converged after 4 iterations.
iteration 775: trace = 2.429159856610489 (1.47355e-09% change)
linmin: converged after 2 iterations.
iteration 776: trace = 2.429159856584426 (1.07289e-09% change)
large trace change predicted (2.55169e-09%)
linmin: converged after 17 iterations.
iteration 777: trace = 2.42915985652244 (2.55176e-09% change)
linmin: converged after 14 iterations.
iteration 778: trace = 2.429159856504473 (7.39637e-10% change)
large trace change predicted (1.88245e-09%)
linmin: converged after 6 iterations.
iteration 779: trace = 2.429159856458738 (1.88273e-09% change)
linmin: converged after 6 iterations.
iteration 780: trace = 2.429159856419581 (1.61198e-09% change)
linmin: converged after 18 iterations.
iteration 781: trace = 2.429159856393265 (1.08333e-09% change)
linmin: converged after 7 iterations.
iteration 782: trace = 2.429159856353518 (1.63624e-09% change)
linmin: converged after 9 iterations.
iteration 783: trace = 2.429159856283865 (2.86738e-09% change)
linmin: converged after 4 iterations.
iteration 784: trace = 2.429159856262734 (8.69875e-10% change)
large trace change predicted (3.35012e-09%)
linmin: converged after 21 iterations.
iteration 785: trace = 2.429159856181355 (3.3501e-09% change)
linmin: converged after 8 iterations.
iteration 786: trace = 2.429159856082024 (4.08912e-09% change)
linmin: converged after 8 iterations.
iteration 787: trace = 2.429159856052705 (1.20693e-09% change)
large trace change predicted (3.68821e-09%)
linmin: converged after 9 iterations.
iteration 788: trace = 2.429159855963104 (3.68857e-09% change)
linmin: converged after 21 iterations.
iteration 789: trace = 2.429159855906845 (2.316e-09% change)
linmin: converged after 4 iterations.
iteration 790: trace = 2.429159855878486 (1.16744e-09% change)
linmin: converged after 6 iterations.
iteration 791: trace = 2.429159855854222 (9.9887e-10% change)
linmin: converged after 4 iterations.
iteration 792: trace = 2.429159855829516 (1.01704e-09% change)
linmin: converged after 15 iterations.
iteration 793: trace = 2.429159855821952 (3.11372e-10% change)
linmin: converged after 15 iterations.
iteration 794: trace = 2.429159855807795 (5.82817e-10% change)
linmin: converged after 5 iterations.
iteration 795: trace = 2.42915985578569 (9.09966e-10% change)
linmin: converged after 25 iterations.
iteration 796: trace = 2.42915985577738 (3.42104e-10% change)
large trace change predicted (1.07094e-09%)
linmin: converged after 16 iterations.
iteration 797: trace = 2.429159855751367 (1.07084e-09% change)
linmin: converged after 4 iterations.
iteration 798: trace = 2.42915985573058 (8.55743e-10% change)
linmin: converged after 16 iterations.
iteration 799: trace = 2.429159855714111 (6.77991e-10% change)
large trace change predicted (2.15748e-09%)
linmin: converged after 16 iterations.
iteration 800: trace = 2.429159855661696 (2.15772e-09% change)
linmin: converged after 19 iterations.
iteration 801: trace = 2.429159855624209 (1.5432e-09% change)
linmin: converged after 6 iterations.
iteration 802: trace = 2.429159855605723 (7.61026e-10% change)
large trace change predicted (1.77823e-09%)
linmin: converged after 4 iterations.
iteration 803: trace = 2.429159855562526 (1.77823e-09% change)
linmin: converged after 24 iterations.
iteration 804: trace = 2.429159855534095 (1.17042e-09% change)
linmin: converged after 6 iterations.
iteration 805: trace = 2.429159855512275 (8.98266e-10% change)
large trace change predicted (3.05571e-09%)
linmin: converged after 22 iterations.
iteration 806: trace = 2.429159855438048 (3.05564e-09% change)
linmin: converged after 17 iterations.
iteration 807: trace = 2.42915985540259 (1.45969e-09% change)
linmin: converged after 3 iterations.
iteration 808: trace = 2.429159855367566 (1.44181e-09% change)
linmin: converged after 4 iterations.
iteration 809: trace = 2.429159855322313 (1.86291e-09% change)
linmin: converged after 6 iterations.
iteration 810: trace = 2.429159855291077 (1.28587e-09% change)
linmin: converged after 13 iterations.
iteration 811: trace = 2.429159855278996 (4.97333e-10% change)
linmin: converged after 3 iterations.
iteration 812: trace = 2.429159855256762 (9.15305e-10% change)
linmin: converged after 18 iterations.
iteration 813: trace = 2.42915985523806 (7.69875e-10% change)
linmin: converged after 9 iterations.
iteration 814: trace = 2.429159855224551 (5.56108e-10% change)
linmin: converged after 13 iterations.
iteration 815: trace = 2.429159855203754 (8.56164e-10% change)
linmin: converged after 4 iterations.
iteration 816: trace = 2.429159855200197 (1.46417e-10% change)
large trace change predicted (5.14569e-10%)
linmin: converged after 4 iterations.
iteration 817: trace = 2.429159855187692 (5.14791e-10% change)
linmin: converged after 4 iterations.
iteration 818: trace = 2.429159855171314 (6.74225e-10% change)
linmin: converged after 15 iterations.
iteration 819: trace = 2.429159855164816 (2.67496e-10% change)
large trace change predicted (7.95636e-10%)
linmin: converged after 12 iterations.
iteration 820: trace = 2.429159855145489 (7.95633e-10% change)
linmin: converged after 4 iterations.
iteration 821: trace = 2.429159855112638 (1.35234e-09% change)
linmin: converged after 6 iterations.
iteration 822: trace = 2.429159855100644 (4.93749e-10% change)
large trace change predicted (1.91275e-09%)
linmin: converged after 5 iterations.
iteration 823: trace = 2.42915985505418 (1.91279e-09% change)
linmin: converged after 25 iterations.
iteration 824: trace = 2.429159855017095 (1.52666e-09% change)
linmin: converged after 6 iterations.
iteration 825: trace = 2.429159854997339 (8.13293e-10% change)
large trace change predicted (1.63686e-09%)
linmin: converged after 4 iterations.
iteration 826: trace = 2.429159854957575 (1.63692e-09% change)
linmin: converged after 4 iterations.
iteration 827: trace = 2.42915985491432 (1.78068e-09% change)
linmin: converged after 4 iterations.
iteration 828: trace = 2.429159854907358 (2.86601e-10% change)
large trace change predicted (1.79346e-09%)
linmin: converged after 4 iterations.
iteration 829: trace = 2.42915985486379 (1.79353e-09% change)
linmin: converged after 18 iterations.
iteration 830: trace = 2.429159854846151 (7.26108e-10% change)
linmin: converged after 3 iterations.
iteration 831: trace = 2.429159854836618 (3.92469e-10% change)
large trace change predicted (1.09824e-09%)
linmin: converged after 5 iterations.
iteration 832: trace = 2.429159854809941 (1.09819e-09% change)
linmin: converged after 4 iterations.
iteration 833: trace = 2.429159854791 (7.79747e-10% change)
linmin: converged after 15 iterations.
iteration 834: trace = 2.429159854773403 (7.24408e-10% change)
linmin: converged after 5 iterations.
iteration 835: trace = 2.429159854767259 (2.52926e-10% change)
large trace change predicted (8.75339e-10%)
linmin: converged after 5 iterations.
iteration 836: trace = 2.429159854745992 (8.75451e-10% change)
linmin: converged after 12 iterations.
iteration 837: trace = 2.429159854741384 (1.89726e-10% change)
linmin: converged after 12 iterations.
iteration 838: trace = 2.429159854734171 (2.96911e-10% change)
large trace change predicted (8.58242e-10%)
linmin: converged after 5 iterations.
iteration 839: trace = 2.42915985471332 (8.58358e-10% change)
resetting CG direction...
linmin: converged after 10 iterations.
iteration 840: trace = 2.429159854701076 (5.0406e-10% change)
linmin: converged after 3 iterations.
iteration 841: trace = 2.429159854691718 (3.8523e-10% change)
linmin: converged after 14 iterations.
iteration 842: trace = 2.429159854683122 (3.53859e-10% change)
linmin: converged after 4 iterations.
iteration 843: trace = 2.429159854676287 (2.8139e-10% change)
large trace change predicted (6.23336e-10%)
linmin: converged after 4 iterations.
iteration 844: trace = 2.429159854661141 (6.23512e-10% change)
linmin: converged after 17 iterations.
iteration 845: trace = 2.429159854645709 (6.35285e-10% change)
linmin: converged after 12 iterations.
iteration 846: trace = 2.429159854639871 (2.40312e-10% change)
large trace change predicted (7.04149e-10%)
linmin: converged after 8 iterations.
iteration 847: trace = 2.429159854622764 (7.04225e-10% change)
linmin: converged after 17 iterations.
iteration 848: trace = 2.429159854607093 (6.45121e-10% change)
linmin: converged after 4 iterations.
iteration 849: trace = 2.429159854597993 (3.74626e-10% change)
linmin: converged after 13 iterations.
iteration 850: trace = 2.42915985458078 (7.08595e-10% change)
linmin: converged after 17 iterations.
iteration 851: trace = 2.429159854558398 (9.21411e-10% change)
linmin: converged after 4 iterations.
iteration 852: trace = 2.429159854548534 (4.06034e-10% change)
large trace change predicted (1.13783e-09%)
linmin: converged after 5 iterations.
iteration 853: trace = 2.429159854520895 (1.13781e-09% change)
linmin: converged after 7 iterations.
iteration 854: trace = 2.429159854512265 (3.55285e-10% change)
large trace change predicted (1.17134e-09%)
linmin: converged after 5 iterations.
iteration 855: trace = 2.429159854483814 (1.17123e-09% change)
linmin: converged after 3 iterations.
iteration 856: trace = 2.429159854463911 (8.19308e-10% change)
linmin: converged after 4 iterations.
iteration 857: trace = 2.429159854456307 (3.13054e-10% change)
large trace change predicted (1.03806e-09%)
linmin: converged after 6 iterations.
iteration 858: trace = 2.429159854431086 (1.03825e-09% change)
linmin: converged after 3 iterations.
iteration 859: trace = 2.429159854414688 (6.75066e-10% change)
linmin: converged after 5 iterations.
iteration 860: trace = 2.42915985440996 (1.94626e-10% change)
linmin: converged after 4 iterations.
iteration 861: trace = 2.429159854403379 (2.70897e-10% change)
linmin: converged after 3 iterations.
iteration 862: trace = 2.42915985439579 (3.12432e-10% change)
linmin: converged after 3 iterations.
iteration 863: trace = 2.429159854393068 (1.12066e-10% change)
linmin: converged after 19 iterations.
iteration 864: trace = 2.429159854388425 (1.91134e-10% change)
linmin: converged after 19 iterations.
iteration 865: trace = 2.429159854379216 (3.79105e-10% change)
linmin: converged after 6 iterations.
iteration 866: trace = 2.429159854377398 (7.48266e-11% change)
Finished solving for bands 1 to 10 after 866 iterations.
tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717
elapsed time for k point: 7.636591672897339
solve_kpoint (0,0,0):
Solving for bands 2 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.433380540443908 (3.19205% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.422814270845926 (0.435167% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.410436633345728 (0.512187% change)
linmin: converged after 3 iterations.
iteration 4: trace = 2.404737571830875 (0.236713% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.402921500695339 (0.0755491% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.401560398915169 (0.0566597% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.401273649453677 (0.0119408% change)
large trace change predicted (0.0255602%)
linmin: converged after 4 iterations.
iteration 8: trace = 2.400660459304371 (0.0255393% change)
linmin: converged after 3 iterations.
iteration 9: trace = 2.400394246180625 (0.0110898% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.400303559085161 (0.00377808% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.400130188695215 (0.00722311% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.400008428418248 (0.0050732% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.399912618969685 (0.00399213% change)
large trace change predicted (0.0102643%)
linmin: converged after 4 iterations.
iteration 14: trace = 2.399666162208103 (0.0102699% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.399556898464543 (0.00455339% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.399371920601187 (0.00770913% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.399289107657486 (0.0034515% change)
large trace change predicted (0.00782311%)
linmin: converged after 4 iterations.
iteration 18: trace = 2.399101380466638 (0.00782459% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.398879607343093 (0.00924444% change)
linmin: converged after 6 iterations.
iteration 20: trace = 2.398649900044041 (0.00957607% change)
large trace change predicted (0.0239448%)
linmin: converged after 4 iterations.
iteration 21: trace = 2.398075312221482 (0.0239575% change)
linmin: converged after 3 iterations.
iteration 22: trace = 2.397887143624137 (0.00784696% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.397522325941974 (0.0152153% change)
linmin: converged after 5 iterations.
iteration 24: trace = 2.397281858636066 (0.0100303% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.396981285049889 (0.0125389% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.396715640950408 (0.0110831% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.396618634307997 (0.00404756% change)
large trace change predicted (0.00900769%)
linmin: converged after 4 iterations.
iteration 28: trace = 2.39640287096897 (0.00900323% change)
linmin: converged after 5 iterations.
iteration 29: trace = 2.396349203684576 (0.00223952% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.396256460549653 (0.00387026% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.396207672473087 (0.00203603% change)
linmin: converged after 4 iterations.
iteration 32: trace = 2.396167671844039 (0.00166934% change)
large trace change predicted (0.00396794%)
linmin: converged after 4 iterations.
iteration 33: trace = 2.396072600306302 (0.00396773% change)
linmin: converged after 10 iterations.
iteration 34: trace = 2.396038797047905 (0.00141079% change)
large trace change predicted (0.00652598%)
linmin: converged after 3 iterations.
iteration 35: trace = 2.395882486755531 (0.00652391% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.39583268550148 (0.00207864% change)
large trace change predicted (0.00897502%)
linmin: converged after 19 iterations.
iteration 37: trace = 2.395617670293436 (0.00897495% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.395533925149891 (0.00349583% change)
large trace change predicted (0.00705092%)
linmin: converged after 4 iterations.
iteration 39: trace = 2.395364976008042 (0.00705292% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.395255848588221 (0.00455588% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.395086682673956 (0.00706279% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.395028276850285 (0.0024386% change)
large trace change predicted (0.00633155%)
linmin: converged after 4 iterations.
iteration 43: trace = 2.394876576935001 (0.00633415% change)
linmin: converged after 5 iterations.
iteration 44: trace = 2.394823829384971 (0.00220254% change)
large trace change predicted (0.00784733%)
linmin: converged after 4 iterations.
iteration 45: trace = 2.394635887865348 (0.00784813% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.394551761799004 (0.00351317% change)
large trace change predicted (0.0073079%)
linmin: converged after 4 iterations.
iteration 47: trace = 2.39437664010452 (0.00731361% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.394320470662205 (0.00234592% change)
large trace change predicted (0.0069281%)
linmin: converged after 4 iterations.
iteration 49: trace = 2.394154559956638 (0.00692958% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.394120839362857 (0.00140847% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.394082460171509 (0.00160307% change)
linmin: converged after 5 iterations.
iteration 52: trace = 2.394061914459259 (0.000858191% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.394035856508216 (0.00108845% change)
linmin: converged after 4 iterations.
iteration 54: trace = 2.394025508527441 (0.000432241% change)
large trace change predicted (0.00106382%)
linmin: converged after 4 iterations.
iteration 55: trace = 2.394000031388523 (0.0010642% change)
linmin: converged after 15 iterations.
iteration 56: trace = 2.393990078074366 (0.000415762% change)
large trace change predicted (0.00147078%)
linmin: converged after 7 iterations.
iteration 57: trace = 2.393954870434198 (0.00147068% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.393941142087391 (0.000573461% change)
large trace change predicted (0.00230683%)
linmin: converged after 4 iterations.
iteration 59: trace = 2.393885915757343 (0.00230695% change)
linmin: converged after 5 iterations.
iteration 60: trace = 2.393856958966908 (0.00120962% change)
large trace change predicted (0.00352012%)
linmin: converged after 4 iterations.
iteration 61: trace = 2.393772751502206 (0.00351771% change)
linmin: converged after 5 iterations.
iteration 62: trace = 2.393670096484641 (0.00428851% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.393605449449459 (0.00270079% change)
linmin: converged after 2 iterations.
iteration 64: trace = 2.39348721716155 (0.00493963% change)
linmin: converged after 12 iterations.
iteration 65: trace = 2.393448255782342 (0.00162782% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.393405376638453 (0.00179154% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.393387851887911 (0.000732213% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.393359848955133 (0.00117002% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.39334836002617 (0.000480035% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.393343745289685 (0.000192815% change)
linmin: converged after 5 iterations.
iteration 71: trace = 2.393336290163514 (0.000311495% change)
linmin: converged after 5 iterations.
iteration 72: trace = 2.393333528458225 (0.000115392% change)
linmin: converged after 5 iterations.
iteration 73: trace = 2.393329051569193 (0.000187057% change)
large trace change predicted (0.000413346%)
linmin: converged after 4 iterations.
iteration 74: trace = 2.393319158534369 (0.00041336% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.393315853870198 (0.000138079% change)
large trace change predicted (0.000436214%)
linmin: converged after 2 iterations.
iteration 76: trace = 2.39330541376668 (0.00043622% change)
linmin: converged after 4 iterations.
iteration 77: trace = 2.393296326460743 (0.000379698% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.393291292967413 (0.000210317% change)
large trace change predicted (0.000432557%)
linmin: converged after 4 iterations.
iteration 79: trace = 2.393280939562352 (0.000432602% change)
linmin: converged after 4 iterations.
iteration 80: trace = 2.39327663525763 (0.00017985% change)
large trace change predicted (0.000406519%)
linmin: converged after 4 iterations.
iteration 81: trace = 2.393266901750644 (0.000406703% change)
linmin: converged after 4 iterations.
iteration 82: trace = 2.393256954513477 (0.000415635% change)
large trace change predicted (0.000838335%)
linmin: converged after 3 iterations.
iteration 83: trace = 2.393236893839753 (0.00083822% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.393229151551698 (0.000323507% change)
large trace change predicted (0.000990682%)
linmin: converged after 4 iterations.
iteration 85: trace = 2.393205436576264 (0.000990924% change)
linmin: converged after 4 iterations.
iteration 86: trace = 2.393198578307199 (0.000286573% change)
large trace change predicted (0.000615433%)
linmin: converged after 3 iterations.
iteration 87: trace = 2.393183852797637 (0.000615309% change)
linmin: converged after 4 iterations.
iteration 88: trace = 2.393179757428099 (0.000171127% change)
linmin: converged after 4 iterations.
iteration 89: trace = 2.393172467192238 (0.000304626% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.393169671714642 (0.000116811% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.393166883827487 (0.000116494% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.393163551325879 (0.000139251% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.393162792558882 (3.17056e-05% change)
large trace change predicted (8.2246e-05%)
linmin: converged after 2 iterations.
iteration 94: trace = 2.39316082390683 (8.22616e-05% change)
linmin: converged after 5 iterations.
iteration 95: trace = 2.393159318219231 (6.29163e-05% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.393158376036829 (3.93698e-05% change)
large trace change predicted (9.19929e-05%)
linmin: converged after 3 iterations.
iteration 97: trace = 2.393156174692149 (9.1985e-05% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.39315509903598 (4.49472e-05% change)
linmin: converged after 4 iterations.
iteration 99: trace = 2.393153692442706 (5.87757e-05% change)
large trace change predicted (0.00011818%)
linmin: converged after 4 iterations.
iteration 100: trace = 2.393150863866867 (0.000118195% change)
linmin: converged after 8 iterations.
iteration 101: trace = 2.393149740538012 (4.69393e-05% change)
linmin: converged after 3 iterations.
iteration 102: trace = 2.393148415427696 (5.5371e-05% change)
large trace change predicted (0.000131314%)
linmin: converged after 5 iterations.
iteration 103: trace = 2.393145273280542 (0.000131298% change)
linmin: converged after 2 iterations.
iteration 104: trace = 2.393143669401702 (6.70197e-05% change)
linmin: converged after 5 iterations.
iteration 105: trace = 2.393142533348935 (4.74712e-05% change)
large trace change predicted (0.000112145%)
linmin: converged after 4 iterations.
iteration 106: trace = 2.393139849250136 (0.000112158% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.393137817393968 (8.49034e-05% change)
linmin: converged after 12 iterations.
iteration 108: trace = 2.393136704130331 (4.6519e-05% change)
large trace change predicted (0.000101756%)
linmin: converged after 3 iterations.
iteration 109: trace = 2.393134269347164 (0.00010174% change)
linmin: converged after 3 iterations.
iteration 110: trace = 2.393131325463725 (0.000123014% change)
linmin: converged after 2 iterations.
iteration 111: trace = 2.393130135487137 (4.97247e-05% change)
linmin: converged after 5 iterations.
iteration 112: trace = 2.393128824267314 (5.4791e-05% change)
large trace change predicted (0.000127429%)
linmin: converged after 2 iterations.
iteration 113: trace = 2.393125774190403 (0.000127452% change)
linmin: converged after 4 iterations.
iteration 114: trace = 2.393123385982424 (9.97946e-05% change)
linmin: converged after 4 iterations.
iteration 115: trace = 2.393122031517405 (5.65982e-05% change)
large trace change predicted (0.000116378%)
linmin: converged after 5 iterations.
iteration 116: trace = 2.393119246533655 (0.000116375% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.39311473425312 (0.000188552% change)
linmin: converged after 5 iterations.
iteration 118: trace = 2.393112592624688 (8.94913e-05% change)
linmin: converged after 4 iterations.
iteration 119: trace = 2.393111107995308 (6.20376e-05% change)
large trace change predicted (0.000135552%)
linmin: converged after 4 iterations.
iteration 120: trace = 2.393107863849913 (0.000135562% change)
linmin: converged after 4 iterations.
iteration 121: trace = 2.39310461183116 (0.000135891% change)
linmin: converged after 5 iterations.
iteration 122: trace = 2.393103201879602 (5.89173e-05% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.393101406094368 (7.50401e-05% change)
linmin: converged after 3 iterations.
iteration 124: trace = 2.393098182873616 (0.000134688% change)
linmin: converged after 5 iterations.
iteration 125: trace = 2.393096476832181 (7.12901e-05% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.393095499942862 (4.08212e-05% change)
large trace change predicted (8.82179e-05%)
linmin: converged after 2 iterations.
iteration 127: trace = 2.393093388798312 (8.82182e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 2.393091334430655 (8.58457e-05% change)
linmin: converged after 5 iterations.
iteration 129: trace = 2.393090633976008 (2.92699e-05% change)
linmin: converged after 6 iterations.
iteration 130: trace = 2.393089820989904 (3.39722e-05% change)
linmin: converged after 4 iterations.
iteration 131: trace = 2.393088521909926 (5.42846e-05% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.393088028506677 (2.06178e-05% change)
linmin: converged after 4 iterations.
iteration 133: trace = 2.393087763775035 (1.10623e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 2.393087259231091 (2.10834e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 2.393086937049219 (1.3463e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 2.393086725461289 (8.84163e-06% change)
large trace change predicted (2.47207e-05%)
linmin: converged after 9 iterations.
iteration 137: trace = 2.393086133884916 (2.47202e-05% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.39308566554791 (1.95704e-05% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.393085449601296 (9.02377e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 140: trace = 2.39308502884997 (1.7582e-05% change)
linmin: converged after 2 iterations.
iteration 141: trace = 2.393084536958866 (2.05547e-05% change)
linmin: converged after 3 iterations.
iteration 142: trace = 2.393083820482782 (2.99394e-05% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.393083526739307 (1.22747e-05% change)
large trace change predicted (4.71917e-05%)
linmin: converged after 2 iterations.
iteration 144: trace = 2.393082397382467 (4.71925e-05% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.39308066676745 (7.23174e-05% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.393079816571708 (3.55273e-05% change)
large trace change predicted (0.000101402%)
linmin: converged after 2 iterations.
iteration 147: trace = 2.393077389834342 (0.000101407% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.393076080789317 (5.47013e-05% change)
linmin: converged after 2 iterations.
iteration 149: trace = 2.393074908838823 (4.89726e-05% change)
linmin: converged after 2 iterations.
iteration 150: trace = 2.393073055168203 (7.74598e-05% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.393072214325346 (3.51365e-05% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.393070903220508 (5.47875e-05% change)
linmin: converged after 4 iterations.
iteration 153: trace = 2.393070066007435 (3.49849e-05% change)
linmin: converged after 3 iterations.
iteration 154: trace = 2.393069538738395 (2.20332e-05% change)
linmin: converged after 4 iterations.
iteration 155: trace = 2.393068663668274 (3.65669e-05% change)
linmin: converged after 4 iterations.
iteration 156: trace = 2.393068316374694 (1.45125e-05% change)
linmin: converged after 2 iterations.
iteration 157: trace = 2.393067753825754 (2.35074e-05% change)
linmin: converged after 2 iterations.
iteration 158: trace = 2.39306703832884 (2.98987e-05% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.393066739158407 (1.25015e-05% change)
large trace change predicted (3.14955e-05%)
linmin: converged after 2 iterations.
iteration 160: trace = 2.393065985438088 (3.1496e-05% change)
linmin: converged after 2 iterations.
iteration 161: trace = 2.393065805975977 (7.49925e-06% change)
large trace change predicted (3.2449e-05%)
linmin: converged after 3 iterations.
iteration 162: trace = 2.393065029487567 (3.24474e-05% change)
linmin: converged after 2 iterations.
iteration 163: trace = 2.393064669039104 (1.50622e-05% change)
linmin: converged after 2 iterations.
iteration 164: trace = 2.393064330504958 (1.41465e-05% change)
large trace change predicted (4.74953e-05%)
linmin: converged after 4 iterations.
iteration 165: trace = 2.393063193941383 (4.74941e-05% change)
linmin: converged after 4 iterations.
iteration 166: trace = 2.393062780381473 (1.72816e-05% change)
large trace change predicted (0.000101911%)
linmin: converged after 5 iterations.
iteration 167: trace = 2.39306034154255 (0.000101913% change)
linmin: converged after 2 iterations.
iteration 168: trace = 2.393059051116956 (5.39237e-05% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.393057311660742 (7.26876e-05% change)
linmin: converged after 2 iterations.
iteration 170: trace = 2.393055656564893 (6.91624e-05% change)
linmin: converged after 4 iterations.
iteration 171: trace = 2.39305490407619 (3.14447e-05% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.393053649332267 (5.24327e-05% change)
linmin: converged after 12 iterations.
iteration 173: trace = 2.393053130453571 (2.16827e-05% change)
linmin: converged after 2 iterations.
iteration 174: trace = 2.393052444950696 (2.86455e-05% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.39305210922459 (1.40292e-05% change)
linmin: converged after 2 iterations.
iteration 176: trace = 2.393051628308182 (2.00964e-05% change)
linmin: converged after 2 iterations.
iteration 177: trace = 2.393051361702711 (1.11408e-05% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.393051191533071 (7.11099e-06% change)
large trace change predicted (1.64433e-05%)
linmin: converged after 2 iterations.
iteration 179: trace = 2.393050798027882 (1.64437e-05% change)
linmin: converged after 6 iterations.
iteration 180: trace = 2.393050730610346 (2.81722e-06% change)
large trace change predicted (1.09261e-05%)
linmin: converged after 2 iterations.
iteration 181: trace = 2.393050469140827 (1.09262e-05% change)
linmin: converged after 2 iterations.
iteration 182: trace = 2.393050352370547 (4.87956e-06% change)
linmin: converged after 30 iterations.
iteration 183: trace = 2.393050240136758 (4.68999e-06% change)
linmin: converged after 2 iterations.
iteration 184: trace = 2.39305012344129 (4.87643e-06% change)
linmin: converged after 3 iterations.
iteration 185: trace = 2.393050007224261 (4.85644e-06% change)
large trace change predicted (3.59006e-05%)
linmin: converged after 3 iterations.
iteration 186: trace = 2.393049148137522 (3.58992e-05% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.393048897864501 (1.04583e-05% change)
large trace change predicted (5.16567e-05%)
linmin: converged after 10 iterations.
iteration 188: trace = 2.393047661810293 (5.16519e-05% change)
linmin: converged after 2 iterations.
iteration 189: trace = 2.393047288582124 (1.55964e-05% change)
large trace change predicted (4.74302e-05%)
linmin: converged after 2 iterations.
iteration 190: trace = 2.393046153552176 (4.74303e-05% change)
linmin: converged after 3 iterations.
iteration 191: trace = 2.393045660119894 (2.06194e-05% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.393044848532964 (3.39144e-05% change)
linmin: converged after 2 iterations.
iteration 193: trace = 2.393044152710887 (2.90769e-05% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.393043747296282 (1.69414e-05% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.393043452226482 (1.23303e-05% change)
linmin: converged after 2 iterations.
iteration 196: trace = 2.393043367892586 (3.52413e-06% change)
linmin: converged after 3 iterations.
iteration 197: trace = 2.393043233774954 (5.60448e-06% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.393043202141304 (1.3219e-06% change)
linmin: converged after 3 iterations.
iteration 199: trace = 2.393043140861097 (2.56076e-06% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.393043111103555 (1.2435e-06% change)
linmin: converged after 2 iterations.
iteration 201: trace = 2.393043071055111 (1.67354e-06% change)
large trace change predicted (3.98465e-06%)
linmin: converged after 2 iterations.
iteration 202: trace = 2.39304297570062 (3.98465e-06% change)
linmin: converged after 4 iterations.
iteration 203: trace = 2.393042910833788 (2.71064e-06% change)
large trace change predicted (5.69781e-06%)
linmin: converged after 2 iterations.
iteration 204: trace = 2.393042774477892 (5.69801e-06% change)
linmin: converged after 4 iterations.
iteration 205: trace = 2.393042679468776 (3.97022e-06% change)
linmin: converged after 2 iterations.
iteration 206: trace = 2.393042568613512 (4.6324e-06% change)
linmin: converged after 3 iterations.
iteration 207: trace = 2.393042508364706 (2.51767e-06% change)
large trace change predicted (5.53465e-06%)
linmin: converged after 18 iterations.
iteration 208: trace = 2.393042375921082 (5.53453e-06% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.393042310229137 (2.74512e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.393042263551757 (1.95055e-06% change)
linmin: converged after 2 iterations.
iteration 211: trace = 2.393042191343329 (3.01743e-06% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.393042159208187 (1.34286e-06% change)
linmin: converged after 2 iterations.
iteration 213: trace = 2.39304209725361 (2.58895e-06% change)
linmin: converged after 2 iterations.
iteration 214: trace = 2.393042008034098 (3.72829e-06% change)
linmin: converged after 3 iterations.
iteration 215: trace = 2.393041988174821 (8.29876e-07% change)
large trace change predicted (2.7594e-06%)
linmin: converged after 2 iterations.
iteration 216: trace = 2.393041922139514 (2.75947e-06% change)
linmin: converged after 2 iterations.
iteration 217: trace = 2.39304191065354 (4.79974e-07% change)
large trace change predicted (1.05679e-06%)
linmin: converged after 2 iterations.
iteration 218: trace = 2.393041885363711 (1.05681e-06% change)
linmin: converged after 10 iterations.
iteration 219: trace = 2.393041870454308 (6.23031e-07% change)
linmin: converged after 2 iterations.
iteration 220: trace = 2.393041860270376 (4.25564e-07% change)
large trace change predicted (1.07954e-06%)
linmin: converged after 2 iterations.
iteration 221: trace = 2.393041834436323 (1.07955e-06% change)
linmin: converged after 4 iterations.
iteration 222: trace = 2.393041824340318 (4.2189e-07% change)
large trace change predicted (2.20794e-06%)
linmin: converged after 2 iterations.
iteration 223: trace = 2.393041771502983 (2.20796e-06% change)
linmin: converged after 11 iterations.
iteration 224: trace = 2.393041731067234 (1.68972e-06% change)
linmin: converged after 5 iterations.
iteration 225: trace = 2.393041677725967 (2.22902e-06% change)
linmin: converged after 2 iterations.
iteration 226: trace = 2.393041595792564 (3.42382e-06% change)
linmin: converged after 5 iterations.
iteration 227: trace = 2.393041565391169 (1.27041e-06% change)
large trace change predicted (2.87587e-06%)
linmin: converged after 2 iterations.
iteration 228: trace = 2.393041496569008 (2.87593e-06% change)
linmin: converged after 2 iterations.
iteration 229: trace = 2.393041460433195 (1.51004e-06% change)
linmin: converged after 4 iterations.
iteration 230: trace = 2.393041391788444 (2.86851e-06% change)
linmin: converged after 2 iterations.
iteration 231: trace = 2.393041352107085 (1.6582e-06% change)
linmin: converged after 25 iterations.
iteration 232: trace = 2.393041313737028 (1.6034e-06% change)
linmin: converged after 18 iterations.
iteration 233: trace = 2.393041296804725 (7.07564e-07% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.393041285423392 (4.75601e-07% change)
linmin: converged after 2 iterations.
iteration 235: trace = 2.393041270302679 (6.31862e-07% change)
linmin: converged after 9 iterations.
iteration 236: trace = 2.393041264402567 (2.46553e-07% change)
large trace change predicted (8.41609e-07%)
linmin: converged after 12 iterations.
iteration 237: trace = 2.393041244262636 (8.41604e-07% change)
linmin: converged after 13 iterations.
iteration 238: trace = 2.393041234996021 (3.87232e-07% change)
linmin: converged after 2 iterations.
iteration 239: trace = 2.39304122302502 (5.00242e-07% change)
linmin: converged after 9 iterations.
iteration 240: trace = 2.393041213605773 (3.9361e-07% change)
linmin: converged after 2 iterations.
iteration 241: trace = 2.393041206373835 (3.02207e-07% change)
linmin: converged after 2 iterations.
iteration 242: trace = 2.393041200244062 (2.5615e-07% change)
linmin: converged after 2 iterations.
iteration 243: trace = 2.393041188949209 (4.71987e-07% change)
linmin: converged after 2 iterations.
iteration 244: trace = 2.39304118225587 (2.797e-07% change)
large trace change predicted (8.07156e-07%)
linmin: converged after 3 iterations.
iteration 245: trace = 2.393041162939943 (8.07171e-07% change)
linmin: converged after 4 iterations.
iteration 246: trace = 2.393041142348072 (8.6049e-07% change)
large trace change predicted (1.79366e-06%)
linmin: converged after 2 iterations.
iteration 247: trace = 2.393041099424753 (1.79367e-06% change)
linmin: converged after 2 iterations.
iteration 248: trace = 2.393041058235112 (1.72123e-06% change)
linmin: converged after 7 iterations.
iteration 249: trace = 2.393040993189666 (2.71811e-06% change)
linmin: converged after 2 iterations.
iteration 250: trace = 2.393040943073716 (2.09424e-06% change)
large trace change predicted (5.70412e-06%)
linmin: converged after 3 iterations.
iteration 251: trace = 2.393040806572129 (5.70411e-06% change)
linmin: converged after 2 iterations.
iteration 252: trace = 2.393040766142772 (1.68946e-06% change)
large trace change predicted (3.48826e-06%)
linmin: converged after 4 iterations.
iteration 253: trace = 2.39304068266847 (3.48821e-06% change)
linmin: converged after 5 iterations.
iteration 254: trace = 2.393040662878805 (8.26967e-07% change)
large trace change predicted (1.7113e-06%)
linmin: converged after 12 iterations.
iteration 255: trace = 2.393040621927048 (1.71129e-06% change)
linmin: converged after 19 iterations.
iteration 256: trace = 2.39304061301991 (3.7221e-07% change)
linmin: converged after 2 iterations.
iteration 257: trace = 2.393040595884254 (7.16062e-07% change)
linmin: converged after 3 iterations.
iteration 258: trace = 2.393040590075302 (2.42744e-07% change)
large trace change predicted (5.30346e-07%)
linmin: converged after 6 iterations.
iteration 259: trace = 2.393040577383956 (5.30344e-07% change)
linmin: converged after 12 iterations.
iteration 260: trace = 2.393040571405063 (2.49845e-07% change)
large trace change predicted (5.10073e-07%)
linmin: converged after 13 iterations.
iteration 261: trace = 2.393040559198907 (5.10069e-07% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.39304054768731 (4.81045e-07% change)
linmin: converged after 2 iterations.
iteration 263: trace = 2.393040530831366 (7.04373e-07% change)
linmin: converged after 3 iterations.
iteration 264: trace = 2.393040516593679 (5.94962e-07% change)
linmin: converged after 2 iterations.
iteration 265: trace = 2.393040506125241 (4.37453e-07% change)
large trace change predicted (1.35114e-06%)
linmin: converged after 11 iterations.
iteration 266: trace = 2.393040473792318 (1.35112e-06% change)
linmin: converged after 4 iterations.
iteration 267: trace = 2.393040464223768 (3.99849e-07% change)
large trace change predicted (1.79378e-06%)
linmin: converged after 13 iterations.
iteration 268: trace = 2.393040421298389 (1.79376e-06% change)
linmin: converged after 23 iterations.
iteration 269: trace = 2.393040410675259 (4.43918e-07% change)
large trace change predicted (1.67652e-06%)
linmin: converged after 28 iterations.
iteration 270: trace = 2.393040370556017 (1.6765e-06% change)
linmin: converged after 6 iterations.
iteration 271: trace = 2.393040347284755 (9.72456e-07% change)
linmin: converged after 17 iterations.
iteration 272: trace = 2.393040318102536 (1.21946e-06% change)
large trace change predicted (2.59327e-06%)
linmin: converged after 4 iterations.
iteration 273: trace = 2.393040256045588 (2.59323e-06% change)
linmin: converged after 2 iterations.
iteration 274: trace = 2.393040229145719 (1.12409e-06% change)
large trace change predicted (2.33597e-06%)
linmin: converged after 4 iterations.
iteration 275: trace = 2.393040173245435 (2.33595e-06% change)
linmin: converged after 2 iterations.
iteration 276: trace = 2.393040137066297 (1.51185e-06% change)
linmin: converged after 2 iterations.
iteration 277: trace = 2.393040092276517 (1.87167e-06% change)
linmin: converged after 9 iterations.
iteration 278: trace = 2.393040079006626 (5.5452e-07% change)
large trace change predicted (1.17469e-06%)
linmin: converged after 3 iterations.
iteration 279: trace = 2.393040050895917 (1.17469e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 280: trace = 2.393040043584102 (3.05545e-07% change)
linmin: converged after 6 iterations.
iteration 281: trace = 2.393040035910132 (3.20679e-07% change)
linmin: converged after 2 iterations.
iteration 282: trace = 2.39304002554926 (4.32959e-07% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.393040020108439 (2.2736e-07% change)
large trace change predicted (7.27753e-07%)
linmin: converged after 3 iterations.
iteration 284: trace = 2.393040002693031 (7.27753e-07% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.393039984439687 (7.62768e-07% change)
linmin: converged after 2 iterations.
iteration 286: trace = 2.393039961230745 (9.69852e-07% change)
linmin: converged after 2 iterations.
iteration 287: trace = 2.393039933065368 (1.17697e-06% change)
linmin: converged after 20 iterations.
iteration 288: trace = 2.393039925243141 (3.26874e-07% change)
large trace change predicted (7.62461e-07%)
linmin: converged after 2 iterations.
iteration 289: trace = 2.393039906997088 (7.62463e-07% change)
linmin: converged after 3 iterations.
iteration 290: trace = 2.393039896953985 (4.1968e-07% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.393039885902561 (4.61815e-07% change)
linmin: converged after 2 iterations.
iteration 292: trace = 2.393039866000343 (8.31671e-07% change)
linmin: converged after 2 iterations.
iteration 293: trace = 2.393039858238609 (3.24346e-07% change)
large trace change predicted (8.20026e-07%)
linmin: converged after 4 iterations.
iteration 294: trace = 2.393039838615123 (8.20023e-07% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.393039834963349 (1.526e-07% change)
large trace change predicted (3.34975e-07%)
linmin: converged after 2 iterations.
iteration 296: trace = 2.393039826947258 (3.34975e-07% change)
linmin: converged after 23 iterations.
iteration 297: trace = 2.393039821890845 (2.11297e-07% change)
linmin: converged after 3 iterations.
iteration 298: trace = 2.393039819754568 (8.92704e-08% change)
large trace change predicted (1.78855e-07%)
linmin: converged after 2 iterations.
iteration 299: trace = 2.393039815474498 (1.78855e-07% change)
linmin: converged after 6 iterations.
iteration 300: trace = 2.393039814588436 (3.70266e-08% change)
large trace change predicted (1.68951e-07%)
linmin: converged after 3 iterations.
iteration 301: trace = 2.393039810545384 (1.6895e-07% change)
linmin: converged after 4 iterations.
iteration 302: trace = 2.393039808764906 (7.44023e-08% change)
large trace change predicted (1.59874e-07%)
linmin: converged after 4 iterations.
iteration 303: trace = 2.393039804939095 (1.59872e-07% change)
linmin: converged after 9 iterations.
iteration 304: trace = 2.393039797307099 (3.18925e-07% change)
linmin: converged after 16 iterations.
iteration 305: trace = 2.393039794197577 (1.2994e-07% change)
large trace change predicted (5.82893e-07%)
linmin: converged after 18 iterations.
iteration 306: trace = 2.393039780248832 (5.82888e-07% change)
linmin: converged after 2 iterations.
iteration 307: trace = 2.393039764786827 (6.46124e-07% change)
linmin: converged after 4 iterations.
iteration 308: trace = 2.393039750017864 (6.17163e-07% change)
linmin: converged after 10 iterations.
iteration 309: trace = 2.393039725756483 (1.01383e-06% change)
linmin: converged after 22 iterations.
iteration 310: trace = 2.393039718096837 (3.2008e-07% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.393039706517889 (4.83859e-07% change)
linmin: converged after 2 iterations.
iteration 312: trace = 2.393039699042665 (3.12374e-07% change)
linmin: converged after 4 iterations.
iteration 313: trace = 2.393039696594512 (1.02303e-07% change)
large trace change predicted (2.13049e-07%)
linmin: converged after 3 iterations.
iteration 314: trace = 2.393039691496138 (2.1305e-07% change)
linmin: converged after 4 iterations.
iteration 315: trace = 2.393039689697536 (7.51597e-08% change)
linmin: converged after 2 iterations.
iteration 316: trace = 2.393039687681912 (8.42286e-08% change)
linmin: converged after 2 iterations.
iteration 317: trace = 2.39303968498274 (1.12793e-07% change)
linmin: converged after 3 iterations.
iteration 318: trace = 2.393039683739993 (5.19317e-08% change)
linmin: converged after 4 iterations.
iteration 319: trace = 2.393039681923726 (7.58979e-08% change)
linmin: converged after 4 iterations.
iteration 320: trace = 2.39303967940794 (1.05129e-07% change)
linmin: converged after 3 iterations.
iteration 321: trace = 2.393039677769733 (6.84572e-08% change)
linmin: converged after 2 iterations.
iteration 322: trace = 2.393039674736269 (1.26762e-07% change)
linmin: converged after 3 iterations.
iteration 323: trace = 2.393039673671995 (4.44737e-08% change)
linmin: converged after 2 iterations.
iteration 324: trace = 2.393039671689107 (8.28606e-08% change)
linmin: converged after 2 iterations.
iteration 325: trace = 2.393039669297133 (9.99555e-08% change)
linmin: converged after 4 iterations.
iteration 326: trace = 2.393039666406318 (1.20801e-07% change)
large trace change predicted (5.24281e-07%)
linmin: converged after 3 iterations.
iteration 327: trace = 2.393039653860141 (5.24278e-07% change)
linmin: converged after 3 iterations.
iteration 328: trace = 2.3930396501451 (1.55244e-07% change)
large trace change predicted (5.14658e-07%)
linmin: converged after 6 iterations.
iteration 329: trace = 2.393039637829149 (5.14657e-07% change)
linmin: converged after 3 iterations.
iteration 330: trace = 2.393039628784646 (3.7795e-07% change)
linmin: converged after 3 iterations.
iteration 331: trace = 2.393039624315906 (1.86739e-07% change)
linmin: converged after 6 iterations.
iteration 332: trace = 2.393039617113109 (3.00989e-07% change)
linmin: converged after 3 iterations.
iteration 333: trace = 2.393039613074678 (1.68757e-07% change)
linmin: converged after 4 iterations.
iteration 334: trace = 2.393039608390692 (1.95734e-07% change)
linmin: converged after 2 iterations.
iteration 335: trace = 2.393039604260139 (1.72607e-07% change)
linmin: converged after 4 iterations.
iteration 336: trace = 2.393039602837053 (5.94677e-08% change)
linmin: converged after 2 iterations.
iteration 337: trace = 2.393039600217194 (1.09478e-07% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.393039599260687 (3.99704e-08% change)
linmin: converged after 6 iterations.
iteration 339: trace = 2.393039597648655 (6.73634e-08% change)
linmin: converged after 4 iterations.
iteration 340: trace = 2.393039594774919 (1.20087e-07% change)
linmin: converged after 6 iterations.
iteration 341: trace = 2.393039593562678 (5.06569e-08% change)
large trace change predicted (1.431e-07%)
linmin: converged after 3 iterations.
iteration 342: trace = 2.393039590138249 (1.431e-07% change)
linmin: converged after 10 iterations.
iteration 343: trace = 2.393039588886906 (5.2291e-08% change)
large trace change predicted (2.05461e-07%)
linmin: converged after 9 iterations.
iteration 344: trace = 2.393039583970162 (2.0546e-07% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.39303958056545 (1.42276e-07% change)
linmin: converged after 12 iterations.
iteration 346: trace = 2.393039578776684 (7.47487e-08% change)
large trace change predicted (3.7855e-07%)
linmin: converged after 6 iterations.
iteration 347: trace = 2.393039569717871 (3.78548e-07% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.393039561714139 (3.34459e-07% change)
large trace change predicted (9.27901e-07%)
linmin: converged after 9 iterations.
iteration 349: trace = 2.393039539509207 (9.27897e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.393039530334008 (3.83412e-07% change)
linmin: converged after 6 iterations.
iteration 351: trace = 2.393039524007444 (2.64374e-07% change)
linmin: converged after 4 iterations.
iteration 352: trace = 2.393039518614078 (2.25377e-07% change)
linmin: converged after 2 iterations.
iteration 353: trace = 2.393039516682342 (8.07231e-08% change)
linmin: converged after 31 iterations.
iteration 354: trace = 2.393039515497306 (4.95201e-08% change)
linmin: converged after 28 iterations.
iteration 355: trace = 2.393039513467057 (8.48397e-08% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.393039512971261 (2.07183e-08% change)
large trace change predicted (5.51477e-08%)
linmin: converged after 26 iterations.
iteration 357: trace = 2.393039511651555 (5.51477e-08% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.393039510858201 (3.31525e-08% change)
linmin: converged after 3 iterations.
iteration 359: trace = 2.393039510361972 (2.07364e-08% change)
linmin: converged after 2 iterations.
iteration 360: trace = 2.393039509532697 (3.46536e-08% change)
linmin: converged after 19 iterations.
iteration 361: trace = 2.39303950870204 (3.47114e-08% change)
linmin: converged after 10 iterations.
iteration 362: trace = 2.393039508083983 (2.58273e-08% change)
linmin: converged after 2 iterations.
iteration 363: trace = 2.393039507035475 (4.38149e-08% change)
linmin: converged after 2 iterations.
iteration 364: trace = 2.39303950644532 (2.46613e-08% change)
large trace change predicted (7.14075e-08%)
linmin: converged after 2 iterations.
iteration 365: trace = 2.393039504736507 (7.14076e-08% change)
linmin: converged after 10 iterations.
iteration 366: trace = 2.393039504078556 (2.74944e-08% change)
large trace change predicted (6.69719e-08%)
linmin: converged after 2 iterations.
iteration 367: trace = 2.393039502475891 (6.6972e-08% change)
linmin: converged after 30 iterations.
iteration 368: trace = 2.393039500282299 (9.16655e-08% change)
linmin: converged after 4 iterations.
iteration 369: trace = 2.393039498972043 (5.47528e-08% change)
large trace change predicted (1.45165e-07%)
linmin: converged after 2 iterations.
iteration 370: trace = 2.393039495498195 (1.45165e-07% change)
linmin: converged after 4 iterations.
iteration 371: trace = 2.393039494758401 (3.09144e-08% change)
large trace change predicted (1.01346e-07%)
linmin: converged after 30 iterations.
iteration 372: trace = 2.393039492333147 (1.01346e-07% change)
linmin: converged after 4 iterations.
iteration 373: trace = 2.393039491329326 (4.19475e-08% change)
linmin: converged after 4 iterations.
iteration 374: trace = 2.393039490730068 (2.50417e-08% change)
linmin: converged after 23 iterations.
iteration 375: trace = 2.393039489641627 (4.54837e-08% change)
linmin: converged after 17 iterations.
iteration 376: trace = 2.393039489380868 (1.08966e-08% change)
large trace change predicted (2.79e-08%)
linmin: converged after 18 iterations.
iteration 377: trace = 2.393039488713208 (2.79001e-08% change)
linmin: converged after 12 iterations.
iteration 378: trace = 2.393039488473531 (1.00156e-08% change)
large trace change predicted (2.1849e-08%)
linmin: converged after 21 iterations.
iteration 379: trace = 2.393039487950677 (2.1849e-08% change)
linmin: converged after 2 iterations.
iteration 380: trace = 2.393039487541194 (1.71114e-08% change)
linmin: converged after 4 iterations.
iteration 381: trace = 2.393039487209535 (1.38593e-08% change)
large trace change predicted (2.79317e-08%)
linmin: converged after 2 iterations.
iteration 382: trace = 2.393039486541117 (2.79318e-08% change)
linmin: converged after 4 iterations.
iteration 383: trace = 2.393039486304621 (9.88267e-09% change)
large trace change predicted (3.49113e-08%)
linmin: converged after 3 iterations.
iteration 384: trace = 2.39303948546918 (3.49113e-08% change)
linmin: converged after 14 iterations.
iteration 385: trace = 2.393039485103423 (1.52842e-08% change)
linmin: converged after 2 iterations.
iteration 386: trace = 2.393039484425752 (2.83184e-08% change)
linmin: converged after 3 iterations.
iteration 387: trace = 2.393039483733097 (2.89446e-08% change)
linmin: converged after 3 iterations.
iteration 388: trace = 2.393039483181924 (2.30324e-08% change)
large trace change predicted (8.23067e-08%)
linmin: converged after 4 iterations.
iteration 389: trace = 2.393039481212295 (8.23066e-08% change)
linmin: converged after 3 iterations.
iteration 390: trace = 2.393039480078674 (4.73716e-08% change)
large trace change predicted (1.55825e-07%)
linmin: converged after 3 iterations.
iteration 391: trace = 2.39303947634973 (1.55825e-07% change)
linmin: converged after 4 iterations.
iteration 392: trace = 2.393039474223412 (8.88543e-08% change)
linmin: converged after 6 iterations.
iteration 393: trace = 2.393039472437169 (7.46433e-08% change)
linmin: converged after 24 iterations.
iteration 394: trace = 2.393039471181656 (5.24652e-08% change)
linmin: converged after 10 iterations.
iteration 395: trace = 2.393039470786062 (1.6531e-08% change)
large trace change predicted (3.57493e-08%)
linmin: converged after 25 iterations.
iteration 396: trace = 2.393039469930568 (3.57493e-08% change)
linmin: converged after 4 iterations.
iteration 397: trace = 2.393039469546422 (1.60527e-08% change)
linmin: converged after 4 iterations.
iteration 398: trace = 2.393039469046133 (2.0906e-08% change)
linmin: converged after 19 iterations.
iteration 399: trace = 2.393039468798518 (1.03473e-08% change)
linmin: converged after 4 iterations.
iteration 400: trace = 2.393039468478962 (1.33536e-08% change)
linmin: converged after 3 iterations.
iteration 401: trace = 2.393039468069249 (1.7121e-08% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.393039467854572 (8.9709e-09% change)
large trace change predicted (5.10206e-08%)
linmin: converged after 24 iterations.
iteration 403: trace = 2.393039466633632 (5.10205e-08% change)
linmin: converged after 4 iterations.
iteration 404: trace = 2.3930394658094 (3.44429e-08% change)
linmin: converged after 17 iterations.
iteration 405: trace = 2.393039464623075 (4.9574e-08% change)
linmin: converged after 4 iterations.
iteration 406: trace = 2.393039462972266 (6.89838e-08% change)
linmin: converged after 4 iterations.
iteration 407: trace = 2.393039462314115 (2.75027e-08% change)
large trace change predicted (6.32846e-08%)
linmin: converged after 2 iterations.
iteration 408: trace = 2.393039460799692 (6.32845e-08% change)
linmin: converged after 2 iterations.
iteration 409: trace = 2.393039459906495 (3.73248e-08% change)
linmin: converged after 10 iterations.
iteration 410: trace = 2.393039459215806 (2.88624e-08% change)
linmin: converged after 3 iterations.
iteration 411: trace = 2.393039458207819 (4.21216e-08% change)
linmin: converged after 17 iterations.
iteration 412: trace = 2.393039457948444 (1.08387e-08% change)
large trace change predicted (3.21758e-08%)
linmin: converged after 3 iterations.
iteration 413: trace = 2.393039457178463 (3.21759e-08% change)
linmin: converged after 3 iterations.
iteration 414: trace = 2.393039456890699 (1.2025e-08% change)
linmin: converged after 4 iterations.
iteration 415: trace = 2.393039456468653 (1.76364e-08% change)
linmin: converged after 2 iterations.
iteration 416: trace = 2.393039455915877 (2.30993e-08% change)
linmin: converged after 2 iterations.
iteration 417: trace = 2.393039455793205 (5.12622e-09% change)
large trace change predicted (2.19269e-08%)
linmin: converged after 21 iterations.
iteration 418: trace = 2.393039455268485 (2.19269e-08% change)
linmin: converged after 27 iterations.
iteration 419: trace = 2.393039455163028 (4.40686e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 420: trace = 2.393039455081534 (3.40544e-09% change)
large trace change predicted (1.28231e-08%)
linmin: converged after 2 iterations.
iteration 421: trace = 2.393039454774672 (1.28231e-08% change)
linmin: converged after 4 iterations.
iteration 422: trace = 2.393039454618046 (6.54506e-09% change)
large trace change predicted (1.46806e-08%)
linmin: converged after 3 iterations.
iteration 423: trace = 2.393039454266736 (1.46805e-08% change)
linmin: converged after 4 iterations.
iteration 424: trace = 2.393039453848227 (1.74886e-08% change)
linmin: converged after 27 iterations.
iteration 425: trace = 2.393039453604065 (1.0203e-08% change)
large trace change predicted (2.14839e-08%)
linmin: converged after 2 iterations.
iteration 426: trace = 2.393039453089949 (2.14838e-08% change)
linmin: converged after 4 iterations.
iteration 427: trace = 2.393039452823184 (1.11475e-08% change)
linmin: converged after 2 iterations.
iteration 428: trace = 2.39303945231017 (2.14378e-08% change)
linmin: converged after 3 iterations.
iteration 429: trace = 2.393039451925552 (1.60724e-08% change)
linmin: converged after 23 iterations.
iteration 430: trace = 2.393039451541071 (1.60666e-08% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.39303945081216 (3.04596e-08% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.393039450415854 (1.65608e-08% change)
linmin: converged after 2 iterations.
iteration 433: trace = 2.393039449685276 (3.05293e-08% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.39303944944451 (1.00611e-08% change)
large trace change predicted (2.67535e-08%)
linmin: converged after 4 iterations.
iteration 435: trace = 2.393039448804291 (2.67534e-08% change)
linmin: converged after 2 iterations.
iteration 436: trace = 2.393039448613129 (7.98826e-09% change)
large trace change predicted (2.03646e-08%)
linmin: converged after 2 iterations.
iteration 437: trace = 2.393039448125796 (2.03646e-08% change)
linmin: converged after 3 iterations.
iteration 438: trace = 2.393039448053937 (3.00285e-09% change)
large trace change predicted (9.93031e-09%)
linmin: converged after 2 iterations.
iteration 439: trace = 2.393039447816299 (9.93036e-09% change)
linmin: converged after 3 iterations.
iteration 440: trace = 2.393039447748134 (2.84845e-09% change)
linmin: converged after 3 iterations.
iteration 441: trace = 2.393039447623873 (5.19264e-09% change)
linmin: converged after 3 iterations.
iteration 442: trace = 2.393039447561049 (2.62526e-09% change)
large trace change predicted (6.60229e-09%)
linmin: converged after 2 iterations.
iteration 443: trace = 2.393039447403053 (6.60231e-09% change)
linmin: converged after 2 iterations.
iteration 444: trace = 2.39303944732493 (3.26461e-09% change)
large trace change predicted (1.01264e-08%)
linmin: converged after 10 iterations.
iteration 445: trace = 2.393039447082602 (1.01264e-08% change)
linmin: converged after 3 iterations.
iteration 446: trace = 2.393039446943546 (5.81083e-09% change)
large trace change predicted (1.73585e-08%)
linmin: converged after 3 iterations.
iteration 447: trace = 2.393039446528151 (1.73585e-08% change)
linmin: converged after 8 iterations.
iteration 448: trace = 2.393039446015525 (2.14215e-08% change)
linmin: converged after 2 iterations.
iteration 449: trace = 2.393039445571531 (1.85536e-08% change)
linmin: converged after 4 iterations.
iteration 450: trace = 2.393039444758272 (3.39843e-08% change)
linmin: converged after 29 iterations.
iteration 451: trace = 2.393039444416251 (1.42923e-08% change)
linmin: converged after 3 iterations.
iteration 452: trace = 2.393039443980618 (1.82042e-08% change)
linmin: converged after 4 iterations.
iteration 453: trace = 2.393039443780794 (8.35021e-09% change)
linmin: converged after 2 iterations.
iteration 454: trace = 2.393039443549136 (9.6805e-09% change)
linmin: converged after 25 iterations.
iteration 455: trace = 2.393039443436664 (4.69994e-09% change)
linmin: converged after 4 iterations.
iteration 456: trace = 2.393039443270879 (6.92783e-09% change)
linmin: converged after 6 iterations.
iteration 457: trace = 2.393039443188931 (3.4244e-09% change)
linmin: converged after 3 iterations.
iteration 458: trace = 2.393039443044277 (6.0448e-09% change)
linmin: converged after 3 iterations.
iteration 459: trace = 2.39303944298991 (2.27189e-09% change)
large trace change predicted (8.28366e-09%)
linmin: converged after 2 iterations.
iteration 460: trace = 2.393039442791682 (8.28349e-09% change)
linmin: converged after 14 iterations.
iteration 461: trace = 2.393039442749653 (1.7563e-09% change)
large trace change predicted (5.97115e-09%)
linmin: converged after 3 iterations.
iteration 462: trace = 2.393039442606761 (5.97117e-09% change)
linmin: converged after 25 iterations.
iteration 463: trace = 2.39303944256638 (1.68742e-09% change)
large trace change predicted (4.09607e-09%)
linmin: converged after 2 iterations.
iteration 464: trace = 2.393039442468357 (4.09619e-09% change)
linmin: converged after 8 iterations.
iteration 465: trace = 2.393039442419999 (2.02077e-09% change)
linmin: converged after 15 iterations.
iteration 466: trace = 2.393039442347808 (3.01671e-09% change)
linmin: converged after 4 iterations.
iteration 467: trace = 2.393039442273152 (3.11971e-09% change)
linmin: converged after 20 iterations.
iteration 468: trace = 2.393039442142555 (5.45738e-09% change)
linmin: converged after 3 iterations.
iteration 469: trace = 2.393039442076984 (2.74006e-09% change)
large trace change predicted (1.16409e-08%)
linmin: converged after 2 iterations.
iteration 470: trace = 2.393039441798411 (1.1641e-08% change)
linmin: converged after 16 iterations.
iteration 471: trace = 2.393039441675736 (5.1263e-09% change)
large trace change predicted (1.43582e-08%)
linmin: converged after 8 iterations.
iteration 472: trace = 2.39303944133214 (1.43582e-08% change)
linmin: converged after 4 iterations.
iteration 473: trace = 2.393039441097609 (9.80053e-09% change)
linmin: converged after 3 iterations.
iteration 474: trace = 2.393039440722298 (1.56835e-08% change)
linmin: converged after 4 iterations.
iteration 475: trace = 2.393039440436632 (1.19374e-08% change)
linmin: converged after 3 iterations.
iteration 476: trace = 2.393039440165509 (1.13296e-08% change)
linmin: converged after 19 iterations.
iteration 477: trace = 2.393039439929586 (9.85873e-09% change)
linmin: converged after 20 iterations.
iteration 478: trace = 2.393039439818141 (4.65701e-09% change)
large trace change predicted (9.52447e-09%)
linmin: converged after 3 iterations.
iteration 479: trace = 2.393039439590219 (9.52438e-09% change)
linmin: converged after 6 iterations.
iteration 480: trace = 2.393039439529571 (2.53435e-09% change)
linmin: converged after 4 iterations.
iteration 481: trace = 2.393039439425098 (4.36574e-09% change)
linmin: converged after 4 iterations.
iteration 482: trace = 2.393039439369573 (2.32027e-09% change)
linmin: converged after 6 iterations.
iteration 483: trace = 2.393039439287506 (3.4294e-09% change)
linmin: converged after 3 iterations.
iteration 484: trace = 2.393039439238953 (2.02893e-09% change)
linmin: converged after 3 iterations.
iteration 485: trace = 2.393039439143538 (3.98716e-09% change)
linmin: converged after 5 iterations.
iteration 486: trace = 2.393039439105284 (1.59855e-09% change)
large trace change predicted (4.7465e-09%)
linmin: converged after 3 iterations.
iteration 487: trace = 2.393039438991697 (4.74657e-09% change)
linmin: converged after 3 iterations.
iteration 488: trace = 2.393039438928778 (2.62927e-09% change)
linmin: converged after 3 iterations.
iteration 489: trace = 2.393039438831347 (4.07143e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.393039438770665 (2.53574e-09% change)
linmin: converged after 2 iterations.
iteration 491: trace = 2.393039438727107 (1.82022e-09% change)
linmin: converged after 12 iterations.
iteration 492: trace = 2.393039438645211 (3.42227e-09% change)
linmin: converged after 4 iterations.
iteration 493: trace = 2.393039438608041 (1.55325e-09% change)
large trace change predicted (4.01501e-09%)
linmin: converged after 2 iterations.
iteration 494: trace = 2.39303943851196 (4.015e-09% change)
linmin: converged after 4 iterations.
iteration 495: trace = 2.393039438391947 (5.0151e-09% change)
linmin: converged after 8 iterations.
iteration 496: trace = 2.393039438354112 (1.58105e-09% change)
large trace change predicted (5.35413e-09%)
linmin: converged after 3 iterations.
iteration 497: trace = 2.393039438225987 (5.35409e-09% change)
linmin: converged after 15 iterations.
iteration 498: trace = 2.393039438141694 (3.52239e-09% change)
linmin: converged after 13 iterations.
iteration 499: trace = 2.393039438094008 (1.99271e-09% change)
large trace change predicted (4.68971e-09%)
linmin: converged after 4 iterations.
iteration 500: trace = 2.393039437981779 (4.68981e-09% change)
linmin: converged after 19 iterations.
iteration 501: trace = 2.393039437940803 (1.7123e-09% change)
large trace change predicted (8.68295e-09%)
linmin: converged after 4 iterations.
iteration 502: trace = 2.393039437733017 (8.68294e-09% change)
linmin: converged after 18 iterations.
iteration 503: trace = 2.393039437666702 (2.77116e-09% change)
large trace change predicted (1.17784e-08%)
linmin: converged after 4 iterations.
iteration 504: trace = 2.393039437384841 (1.17784e-08% change)
linmin: converged after 4 iterations.
iteration 505: trace = 2.393039437295321 (3.74083e-09% change)
large trace change predicted (1.00383e-08%)
linmin: converged after 2 iterations.
iteration 506: trace = 2.3930394370551 (1.00383e-08% change)
linmin: converged after 21 iterations.
iteration 507: trace = 2.393039436967758 (3.6498e-09% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.393039436834583 (5.56511e-09% change)
linmin: converged after 3 iterations.
iteration 509: trace = 2.393039436771053 (2.6548e-09% change)
linmin: converged after 12 iterations.
iteration 510: trace = 2.393039436692701 (3.27416e-09% change)
linmin: converged after 3 iterations.
iteration 511: trace = 2.393039436663756 (1.20954e-09% change)
linmin: converged after 6 iterations.
iteration 512: trace = 2.393039436628705 (1.46471e-09% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.393039436596319 (1.35331e-09% change)
linmin: converged after 8 iterations.
iteration 514: trace = 2.393039436574894 (8.95308e-10% change)
large trace change predicted (2.31083e-09%)
linmin: converged after 8 iterations.
iteration 515: trace = 2.393039436519594 (2.31088e-09% change)
linmin: converged after 3 iterations.
iteration 516: trace = 2.39303943649859 (8.77734e-10% change)
large trace change predicted (3.82906e-09%)
linmin: converged after 3 iterations.
iteration 517: trace = 2.39303943640696 (3.82901e-09% change)
linmin: converged after 2 iterations.
iteration 518: trace = 2.39303943636861 (1.60255e-09% change)
linmin: converged after 11 iterations.
iteration 519: trace = 2.393039436322549 (1.92481e-09% change)
linmin: converged after 2 iterations.
iteration 520: trace = 2.393039436271038 (2.15251e-09% change)
linmin: converged after 3 iterations.
iteration 521: trace = 2.393039436244692 (1.10094e-09% change)
large trace change predicted (3.17061e-09%)
linmin: converged after 3 iterations.
iteration 522: trace = 2.393039436168818 (3.17061e-09% change)
linmin: converged after 4 iterations.
iteration 523: trace = 2.393039436097631 (2.97477e-09% change)
linmin: converged after 4 iterations.
iteration 524: trace = 2.393039435995211 (4.27989e-09% change)
linmin: converged after 4 iterations.
iteration 525: trace = 2.393039435818145 (7.39921e-09% change)
linmin: converged after 3 iterations.
iteration 526: trace = 2.393039435723086 (3.97233e-09% change)
linmin: converged after 19 iterations.
iteration 527: trace = 2.393039435536705 (7.78847e-09% change)
linmin: converged after 6 iterations.
iteration 528: trace = 2.393039435449276 (3.65346e-09% change)
linmin: converged after 6 iterations.
iteration 529: trace = 2.393039435338912 (4.61188e-09% change)
linmin: converged after 2 iterations.
iteration 530: trace = 2.393039435244189 (3.95829e-09% change)
linmin: converged after 4 iterations.
iteration 531: trace = 2.393039435199449 (1.86956e-09% change)
linmin: converged after 2 iterations.
iteration 532: trace = 2.393039435130634 (2.87564e-09% change)
linmin: converged after 14 iterations.
iteration 533: trace = 2.393039435113299 (7.24394e-10% change)
linmin: converged after 3 iterations.
iteration 534: trace = 2.393039435083929 (1.22732e-09% change)
linmin: converged after 3 iterations.
iteration 535: trace = 2.393039435061976 (9.17355e-10% change)
linmin: converged after 3 iterations.
iteration 536: trace = 2.393039435043413 (7.75705e-10% change)
large trace change predicted (2.37715e-09%)
linmin: converged after 3 iterations.
iteration 537: trace = 2.393039434986528 (2.37709e-09% change)
linmin: converged after 5 iterations.
iteration 538: trace = 2.393039434959441 (1.13194e-09% change)
large trace change predicted (4.77728e-09%)
linmin: converged after 4 iterations.
iteration 539: trace = 2.393039434845119 (4.77725e-09% change)
linmin: converged after 3 iterations.
iteration 540: trace = 2.393039434792144 (2.21371e-09% change)
large trace change predicted (4.44573e-09%)
linmin: converged after 4 iterations.
iteration 541: trace = 2.393039434685755 (4.44579e-09% change)
linmin: converged after 4 iterations.
iteration 542: trace = 2.393039434547814 (5.76427e-09% change)
linmin: converged after 27 iterations.
iteration 543: trace = 2.393039434463725 (3.51387e-09% change)
linmin: converged after 2 iterations.
iteration 544: trace = 2.393039434327819 (5.67926e-09% change)
linmin: converged after 2 iterations.
iteration 545: trace = 2.393039434297494 (1.26718e-09% change)
large trace change predicted (4.76578e-09%)
linmin: converged after 2 iterations.
iteration 546: trace = 2.393039434183446 (4.76584e-09% change)
linmin: converged after 4 iterations.
iteration 547: trace = 2.393039434155507 (1.16753e-09% change)
linmin: converged after 3 iterations.
iteration 548: trace = 2.393039434110598 (1.87663e-09% change)
linmin: converged after 3 iterations.
iteration 549: trace = 2.39303943405266 (2.42111e-09% change)
linmin: converged after 7 iterations.
iteration 550: trace = 2.393039434021908 (1.28505e-09% change)
large trace change predicted (2.72009e-09%)
linmin: converged after 3 iterations.
iteration 551: trace = 2.393039433956814 (2.72016e-09% change)
linmin: converged after 13 iterations.
iteration 552: trace = 2.39303943394262 (5.93117e-10% change)
large trace change predicted (1.4614e-09%)
linmin: converged after 6 iterations.
iteration 553: trace = 2.39303943390765 (1.46133e-09% change)
linmin: converged after 4 iterations.
iteration 554: trace = 2.393039433887136 (8.57228e-10% change)
linmin: converged after 4 iterations.
iteration 555: trace = 2.393039433871071 (6.71338e-10% change)
large trace change predicted (2.49889e-09%)
linmin: converged after 15 iterations.
iteration 556: trace = 2.393039433811273 (2.49881e-09% change)
linmin: converged after 5 iterations.
iteration 557: trace = 2.39303943377127 (1.67163e-09% change)
large trace change predicted (3.87363e-09%)
linmin: converged after 3 iterations.
iteration 558: trace = 2.393039433678571 (3.87372e-09% change)
linmin: converged after 12 iterations.
iteration 559: trace = 2.393039433633079 (1.90102e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 560: trace = 2.393039433591982 (1.71733e-09% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.393039433535898 (2.34363e-09% change)
linmin: converged after 10 iterations.
iteration 562: trace = 2.393039433476222 (2.49374e-09% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.393039433456065 (8.42308e-10% change)
linmin: converged after 4 iterations.
iteration 564: trace = 2.393039433422571 (1.39967e-09% change)
linmin: converged after 2 iterations.
iteration 565: trace = 2.393039433403372 (8.02261e-10% change)
linmin: converged after 20 iterations.
iteration 566: trace = 2.393039433378293 (1.048e-09% change)
linmin: converged after 4 iterations.
iteration 567: trace = 2.393039433347348 (1.29313e-09% change)
linmin: converged after 3 iterations.
iteration 568: trace = 2.39303943333379 (5.66562e-10% change)
large trace change predicted (1.65308e-09%)
linmin: converged after 3 iterations.
iteration 569: trace = 2.393039433294231 (1.65311e-09% change)
linmin: converged after 2 iterations.
iteration 570: trace = 2.393039433267218 (1.1288e-09% change)
linmin: converged after 4 iterations.
iteration 571: trace = 2.393039433251191 (6.69723e-10% change)
large trace change predicted (2.59613e-09%)
linmin: converged after 6 iterations.
iteration 572: trace = 2.393039433189065 (2.59613e-09% change)
linmin: converged after 10 iterations.
iteration 573: trace = 2.393039433169208 (8.29763e-10% change)
large trace change predicted (3.32246e-09%)
linmin: converged after 11 iterations.
iteration 574: trace = 2.3930394330897 (3.32247e-09% change)
linmin: converged after 11 iterations.
iteration 575: trace = 2.393039433039307 (2.10582e-09% change)
linmin: converged after 3 iterations.
iteration 576: trace = 2.393039433008009 (1.30788e-09% change)
linmin: converged after 3 iterations.
iteration 577: trace = 2.393039432966736 (1.72474e-09% change)
linmin: converged after 2 iterations.
iteration 578: trace = 2.393039432937859 (1.2067e-09% change)
large trace change predicted (2.95829e-09%)
linmin: converged after 2 iterations.
iteration 579: trace = 2.393039432867064 (2.95837e-09% change)
linmin: converged after 3 iterations.
iteration 580: trace = 2.393039432836827 (1.26355e-09% change)
linmin: converged after 2 iterations.
iteration 581: trace = 2.393039432817371 (8.13006e-10% change)
linmin: converged after 6 iterations.
iteration 582: trace = 2.393039432800204 (7.1736e-10% change)
linmin: converged after 13 iterations.
iteration 583: trace = 2.393039432793716 (2.71126e-10% change)
large trace change predicted (5.44685e-10%)
linmin: converged after 2 iterations.
iteration 584: trace = 2.393039432780685 (5.44571e-10% change)
linmin: converged after 9 iterations.
iteration 585: trace = 2.393039432773195 (3.12973e-10% change)
linmin: converged after 3 iterations.
iteration 586: trace = 2.393039432762138 (4.62064e-10% change)
linmin: converged after 2 iterations.
iteration 587: trace = 2.393039432742628 (8.15251e-10% change)
linmin: converged after 2 iterations.
iteration 588: trace = 2.393039432734777 (3.28097e-10% change)
large trace change predicted (1.41391e-09%)
linmin: converged after 6 iterations.
iteration 589: trace = 2.393039432700941 (1.41392e-09% change)
linmin: converged after 4 iterations.
iteration 590: trace = 2.393039432674914 (1.08764e-09% change)
linmin: converged after 4 iterations.
iteration 591: trace = 2.39303943265161 (9.73788e-10% change)
linmin: converged after 4 iterations.
iteration 592: trace = 2.393039432614045 (1.5698e-09% change)
linmin: converged after 4 iterations.
iteration 593: trace = 2.393039432599276 (6.17131e-10% change)
large trace change predicted (1.75499e-09%)
linmin: converged after 9 iterations.
iteration 594: trace = 2.393039432557276 (1.75512e-09% change)
linmin: converged after 6 iterations.
iteration 595: trace = 2.393039432545948 (4.73366e-10% change)
large trace change predicted (1.15899e-09%)
linmin: converged after 5 iterations.
iteration 596: trace = 2.39303943251821 (1.15912e-09% change)
linmin: converged after 2 iterations.
iteration 597: trace = 2.393039432491335 (1.12303e-09% change)
linmin: converged after 4 iterations.
iteration 598: trace = 2.393039432480397 (4.57091e-10% change)
large trace change predicted (1.52391e-09%)
linmin: converged after 3 iterations.
iteration 599: trace = 2.393039432443929 (1.52389e-09% change)
linmin: converged after 13 iterations.
iteration 600: trace = 2.393039432430085 (5.7855e-10% change)
linmin: converged after 4 iterations.
iteration 601: trace = 2.393039432414344 (6.57753e-10% change)
linmin: converged after 3 iterations.
iteration 602: trace = 2.393039432405177 (3.83065e-10% change)
linmin: converged after 7 iterations.
iteration 603: trace = 2.393039432401144 (1.6854e-10% change)
linmin: converged after 10 iterations.
iteration 604: trace = 2.393039432394298 (2.86083e-10% change)
linmin: converged after 11 iterations.
iteration 605: trace = 2.393039432388366 (2.47892e-10% change)
linmin: converged after 2 iterations.
iteration 606: trace = 2.393039432383648 (1.97155e-10% change)
large trace change predicted (4.78428e-10%)
linmin: converged after 6 iterations.
iteration 607: trace = 2.393039432372197 (4.78525e-10% change)
linmin: converged after 3 iterations.
iteration 608: trace = 2.39303943236669 (2.30095e-10% change)
large trace change predicted (5.68749e-10%)
linmin: converged after 9 iterations.
iteration 609: trace = 2.393039432353077 (5.68881e-10% change)
large trace change predicted (1.18412e-09%)
linmin: converged after 3 iterations.
iteration 610: trace = 2.393039432324741 (1.18408e-09% change)
linmin: converged after 4 iterations.
iteration 611: trace = 2.393039432312935 (4.93371e-10% change)
large trace change predicted (1.76798e-09%)
linmin: converged after 4 iterations.
iteration 612: trace = 2.393039432270628 (1.76792e-09% change)
linmin: converged after 5 iterations.
iteration 613: trace = 2.393039432244956 (1.07276e-09% change)
linmin: converged after 2 iterations.
iteration 614: trace = 2.393039432203985 (1.7121e-09% change)
linmin: converged after 3 iterations.
iteration 615: trace = 2.39303943218117 (9.53375e-10% change)
linmin: converged after 3 iterations.
iteration 616: trace = 2.393039432169938 (4.69376e-10% change)
linmin: converged after 3 iterations.
iteration 617: trace = 2.393039432158995 (4.57276e-10% change)
linmin: converged after 10 iterations.
iteration 618: trace = 2.393039432154797 (1.75443e-10% change)
linmin: converged after 5 iterations.
iteration 619: trace = 2.393039432148036 (2.8252e-10% change)
linmin: converged after 4 iterations.
iteration 620: trace = 2.393039432136146 (4.96841e-10% change)
linmin: converged after 4 iterations.
iteration 621: trace = 2.39303943213301 (1.31053e-10% change)
large trace change predicted (5.35513e-10%)
linmin: converged after 3 iterations.
iteration 622: trace = 2.393039432120193 (5.35589e-10% change)
linmin: converged after 4 iterations.
iteration 623: trace = 2.393039432113679 (2.72239e-10% change)
linmin: converged after 8 iterations.
iteration 624: trace = 2.393039432106066 (3.18095e-10% change)
linmin: converged after 5 iterations.
iteration 625: trace = 2.393039432098135 (3.31456e-10% change)
linmin: converged after 11 iterations.
iteration 626: trace = 2.393039432094206 (1.6416e-10% change)
large trace change predicted (1.14851e-09%)
linmin: converged after 2 iterations.
iteration 627: trace = 2.393039432066721 (1.14856e-09% change)
linmin: converged after 4 iterations.
iteration 628: trace = 2.393039432054615 (5.0586e-10% change)
large trace change predicted (1.49987e-09%)
linmin: converged after 2 iterations.
iteration 629: trace = 2.393039432018724 (1.49982e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.393039431999159 (8.17552e-10% change)
linmin: converged after 4 iterations.
iteration 631: trace = 2.393039431990648 (3.55692e-10% change)
large trace change predicted (9.79319e-10%)
linmin: converged after 4 iterations.
iteration 632: trace = 2.393039431967213 (9.79281e-10% change)
linmin: converged after 4 iterations.
iteration 633: trace = 2.393039431960509 (2.80126e-10% change)
linmin: converged after 3 iterations.
iteration 634: trace = 2.393039431950895 (4.01752e-10% change)
linmin: converged after 3 iterations.
iteration 635: trace = 2.393039431943192 (3.21918e-10% change)
linmin: converged after 3 iterations.
iteration 636: trace = 2.393039431940059 (1.30923e-10% change)
large trace change predicted (2.92515e-10%)
linmin: converged after 3 iterations.
iteration 637: trace = 2.39303943193306 (2.92448e-10% change)
linmin: converged after 6 iterations.
iteration 638: trace = 2.393039431927997 (2.11574e-10% change)
linmin: converged after 6 iterations.
iteration 639: trace = 2.39303943192271 (2.20927e-10% change)
linmin: converged after 4 iterations.
iteration 640: trace = 2.393039431914639 (3.37283e-10% change)
linmin: converged after 4 iterations.
iteration 641: trace = 2.393039431913088 (6.48029e-11% change)
Finished solving for bands 2 to 10 after 641 iterations.
tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016
.elapsed time for k point: 4.707355737686157
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0>
Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.36899013666801306 at Vector3<0.0, 0.0, 0.0> to 0.48074846784433395 at Vector3<0.5, 0.5, 0.0>
Band 5 range: 0.4779014824358745 at Vector3<0.5, 0.0, 0.0> to 0.5073352894296067 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.5065518587497806 at Vector3<0.0, 0.0, 0.0> to 0.5125343692392687 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.5090758744004433 at Vector3<0.5, 0.0, 0.0> to 0.6079200818300042 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 0.6150518764785363 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.63568078470799 at Vector3<0.0, 0.0, 0.0>
Band 9 range: 0.6397097609337264 at Vector3<0.5, 0.0, 0.0> to 0.6489078359746278 at Vector3<0.5, 0.5, 0.0>
Band 10 range: 0.6468898907439936 at Vector3<0.5, 0.0, 0.0> to 0.6600163340857906 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2156485263339956) to band 2 (0.2658849785678317), 20.86519493345664%
Gap from band 2 (0.3546302405484167) to band 3 (0.35621423559129134), 0.4456657105859925%
Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074%
Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722%
Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279%
total elapsed time for run: 89.24830174446106
done
/tmp/meepg15Lzl/test_hermitian_eps-0: 89.25s
/tmp/meepg15Lzl/test_hole_slab-0
========================
Initializing eigensolver data
Computing 9 bands with 1e-12 tolerance
Working in 3 dimensions.
Grid size is 32 x 32 x 64.
Solving for 9 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 4)
Cell volume = 3.4641
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 0.25)
Geometric objects:
block, center = (0,0,1)
size (1e+20,1e+20,2)
axes (1,0,0), (0,1,0), (0,0,1)
block, center = (0,0,0)
size (1e+20,1e+20,0.5)
axes (1,0,0), (0,1,0), (0,0,1)
cylinder, center = (0,0,0)
radius 0.3, height 4, axis (0, 0, 1)
Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: zeven.
Initializing fields to random numbers...
1 k-points
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
elapsed time for initialization: 0.1071019172668457
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...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 20.14068801126488 (196.16% change)
linmin: converged after 13 iterations.
iteration 2: trace = 3.299137341812085 (143.7% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.669410204363155 (21.1015% change)
linmin: converged after 6 iterations.
iteration 4: trace = 2.40241249385957 (10.5287% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.282088343951399 (5.13712% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.228076475135598 (2.39512% change)
linmin: converged after 7 iterations.
iteration 7: trace = 2.207088432445513 (0.946438% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.197424295920371 (0.438829% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.193156579988943 (0.194403% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.19061263941641 (0.116062% change)
linmin: converged after 5 iterations.
iteration 11: trace = 2.189324950475648 (0.0587994% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.188582973206251 (0.0338964% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.188220751661914 (0.0165519% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.188067093603424 (0.0070223% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.188000083848798 (0.00306256% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.187974779563759 (0.00115651% change)
linmin: converged after 4 iterations.
iteration 17: trace = 2.187966030722257 (0.000399861% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.187961616111335 (0.000201768% change)
linmin: converged after 5 iterations.
iteration 19: trace = 2.187959777341824 (8.40403e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.187958886064244 (4.07356e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 2.187958549134365 (1.53993e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 2.187958302488668 (1.12729e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 2.187958133390967 (7.72856e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.187958074545629 (2.68951e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.187958069786985 (2.17492e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.187958069734506 (2.39855e-09% change)
linmin: converged after 7 iterations.
iteration 27: trace = 2.187958069720248 (6.51655e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 2.187958069713324 (3.1647e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.18795806970928 (1.84804e-10% change)
linmin: converged after 14 iterations.
iteration 30: trace = 2.187958069706368 (1.33087e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 2.187958069704355 (9.20265e-11% change)
Finished solving for bands 1 to 9 after 31 iterations.
zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253
elapsed time for k point: 16.854070901870728
total elapsed time for run: 16.96126699447632
done
Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913
FOutputting fields to /tmp/meepg15Lzl/test_hole_slab-0-h.k01.b09.z.zeven.h5...
eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0
mean flops per iteration = 232048195.5483871
mean time per iteration = 0.547137644983107 s
/tmp/meepg15Lzl/test_hole_slab-0: 16.99s
/tmp/meepg15Lzl/test_honey_rods-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0.166667,0.166667,0)
radius 0.14, height 1e+20, axis (0, 0, 1)
cylinder, center = (-0.166667,-0.166667,0)
radius 0.14, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.0015070438385009766
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...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 14.08603322828974 (195.946% change)
linmin: converged after 8 iterations.
iteration 2: trace = 4.946841082550758 (96.0359% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.482417469982445 (9.85069% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.426179454909694 (1.26256% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.404732774789124 (0.485718% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.393592673653451 (0.253232% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.388048069558351 (0.126277% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.386014285277234 (0.046359% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.385327350069832 (0.0156632% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.385030799696019 (0.00676256% change)
linmin: converged after 9 iterations.
iteration 11: trace = 4.384928986166413 (0.00232187% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.384903198779061 (0.000588093% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.384897579818996 (0.000128143% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.384896578810423 (2.28286e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.384896296355217 (6.44155e-06% change)
linmin: converged after 17 iterations.
iteration 16: trace = 4.384896163448913 (3.031e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.384896108996883 (1.24181e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.384896055181308 (1.22729e-06% change)
linmin: converged after 9 iterations.
iteration 19: trace = 4.384895970966356 (1.92057e-06% change)
linmin: converged after 7 iterations.
iteration 20: trace = 4.384895907261345 (1.45283e-06% change)
large trace change predicted (4.57064e-06%)
linmin: converged after 6 iterations.
iteration 21: trace = 4.3848957068431 (4.57065e-06% change)
large trace change predicted (5.41039e-05%)
linmin: converged after 4 iterations.
iteration 22: trace = 4.384893338182164 (5.40187e-05% change)
large trace change predicted (0.000283054%)
linmin: converged after 9 iterations.
iteration 23: trace = 4.384881228353985 (0.000276172% change)
linmin: converged after 9 iterations.
iteration 24: trace = 4.384874398294823 (0.000155764% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.384872500513711 (4.32802e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.384871395471816 (2.52012e-05% change)
linmin: converged after 9 iterations.
iteration 27: trace = 4.384870693946444 (1.59988e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 4.384870461991072 (5.2899e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 4.384870388776773 (1.6697e-06% change)
linmin: converged after 8 iterations.
iteration 30: trace = 4.384870368925833 (4.52714e-07% change)
linmin: converged after 10 iterations.
iteration 31: trace = 4.384870362403318 (1.4875e-07% change)
linmin: converged after 6 iterations.
iteration 32: trace = 4.384870359727655 (6.10204e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 4.384870359219449 (1.159e-08% change)
linmin: converged after 18 iterations.
iteration 34: trace = 4.384870359145734 (1.68113e-09% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.384870359129951 (3.59941e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 4.384870359120915 (2.0608e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 4.38487035911561 (1.20966e-10% change)
linmin: converged after 6 iterations.
iteration 38: trace = 4.384870359114471 (2.59878e-11% change)
Finished solving for bands 2 to 8 after 38 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928
elapsed time for k point: 0.1041574478149414
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.398721940930018 (0.785796% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.393117316903974 (0.127496% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.389343308629444 (0.0859442% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.386788236161571 (0.0582278% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.383878568871475 (0.06635% change)
large trace change predicted (0.244095%)
linmin: converged after 5 iterations.
iteration 6: trace = 4.374047466163459 (0.224508% change)
linmin: converged after 8 iterations.
iteration 7: trace = 4.368118485130831 (0.135641% change)
linmin: converged after 7 iterations.
iteration 8: trace = 4.366002618092194 (0.0484506% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.36474279607383 (0.0288594% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.364161250576655 (0.0133246% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.363987460053582 (0.0039823% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.363951770436642 (0.000817825% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.363938583509695 (0.000302179% change)
linmin: converged after 8 iterations.
iteration 14: trace = 4.363930081725975 (0.000194819% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.363920378371304 (0.000222354% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.363910621596412 (0.000223578% change)
linmin: converged after 6 iterations.
iteration 17: trace = 4.363903924428309 (0.000153467% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.363900915380417 (6.89531e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.363900331095293 (1.33891e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.363900186219114 (3.31988e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.363900088964026 (2.22863e-06% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.363900060699542 (6.47689e-07% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.36390005530451 (1.23629e-07% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.363900051912937 (7.77188e-08% change)
linmin: converged after 22 iterations.
iteration 25: trace = 4.363900047515015 (1.0078e-07% change)
linmin: converged after 10 iterations.
iteration 26: trace = 4.363900042904682 (1.05647e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.36390004038918 (5.76434e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.36390003927038 (2.56376e-08% change)
linmin: converged after 9 iterations.
iteration 29: trace = 4.363900038955538 (7.21468e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.363900038873569 (1.87834e-09% change)
linmin: converged after 26 iterations.
iteration 31: trace = 4.363900038847108 (6.06373e-10% change)
linmin: converged after 19 iterations.
iteration 32: trace = 4.363900038835858 (2.57789e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 4.36390003883082 (1.15462e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 4.363900038828961 (4.25985e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362
elapsed time for k point: 0.11303400993347168
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.337244337609678 (0.916306% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.328998104322993 (0.190307% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.32639370164097 (0.0601799% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.326044500292335 (0.00807174% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.326009019266948 (0.000820176% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.325999490809005 (0.00022026% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.325995296299609 (9.69605e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.325994594651871 (1.62193e-05% change)
linmin: converged after 21 iterations.
iteration 9: trace = 4.325994488077121 (2.46359e-06% change)
linmin: converged after 15 iterations.
iteration 10: trace = 4.325994468151046 (4.60613e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.325994462562192 (1.29192e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.325994459723793 (6.56126e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.32599445837473 (3.1185e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.325994457749017 (1.4464e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.325994457604776 (3.33429e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.325994457594259 (2.4311e-10% change)
linmin: converged after 15 iterations.
iteration 17: trace = 4.325994457593159 (2.54382e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829
elapsed time for k point: 0.057578086853027344
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.306001070929652 (0.788082% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.300360847934489 (0.131071% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.298518538322207 (0.04285% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.298157359198859 (0.00840276% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.29810142377206 (0.00130139% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.298085059916545 (0.000380724% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.298081361323795 (8.60521e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.298081030130989 (7.7056e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.298080990199845 (9.29046e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.298080980492031 (2.25864e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.298080977563763 (6.81297e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.298080976767695 (1.85215e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.298080976493845 (6.37143e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.298080976439338 (1.26818e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.298080976434354 (1.15949e-10% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.298080976434065 (6.73664e-12% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016
elapsed time for k point: 0.054178714752197266
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.295193771997795 (0.757652% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.289005422997731 (0.14418% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.286655525617624 (0.0548039% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.286149536707246 (0.0118045% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.286096391657205 (0.00123993% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.286089079043695 (0.000170613% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.286087354619918 (4.0233e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.286087144657689 (4.89869e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.286087124718897 (4.65198e-07% change)
linmin: converged after 13 iterations.
iteration 10: trace = 4.286087122345822 (5.53669e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.286087121648089 (1.6279e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.286087121456529 (4.46936e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.286087121427353 (6.80709e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.286087121422131 (1.21827e-10% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.286087121421341 (1.84429e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067
elapsed time for k point: 0.05121159553527832
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.295769793792948 (0.789547% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.28778519878741 (0.186044% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.284595510942272 (0.0744178% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.28394415962977 (0.0152033% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.283890904445597 (0.00124314% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.283887176226487 (8.70288e-05% change)
linmin: converged after 18 iterations.
iteration 7: trace = 4.283886858681741 (7.41254e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.283886826915921 (7.41519e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.28388682147316 (1.27052e-07% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.283886820456615 (2.37295e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283886820322503 (3.1306e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.283886820305652 (3.93367e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.283886820302828 (6.59102e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404
elapsed time for k point: 0.04459786415100098
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.289328030396198 (0.255282% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.28802476019065 (0.0303886% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.287906729392985 (0.00275261% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.28789198256394 (0.000343917% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.287890045876974 (4.51664e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.287889552037952 (1.15171e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.287889502750222 (1.14946e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.28788950034711 (5.60442e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.287889500025852 (7.49223e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.287889499903877 (2.84463e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.287889499875894 (6.52604e-10% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.287889499871681 (9.82656e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612
elapsed time for k point: 0.04138588905334473
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.30135680349205 (0.254655% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.300043563537508 (0.0305355% change)
linmin: converged after 14 iterations.
iteration 3: trace = 4.299922855277374 (0.00280718% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.299907791777737 (0.000350321% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.299905439718406 (5.47002e-05% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.299904830345856 (1.41718e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.299904776860712 (1.24387e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.29990477259056 (9.93081e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.299904771447066 (2.65935e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.299904771054305 (9.13419e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.299904770962037 (2.1458e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.29990477094445 (4.09005e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.299904770939916 (1.05448e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.29990477093923 (1.59463e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226
elapsed time for k point: 0.047953128814697266
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.321382841090537 (0.254327% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.320030166755696 (0.0313068% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.319900410607536 (0.00300364% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.319883445006697 (0.000392732% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.319880164551647 (7.59385e-05% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.319879323285329 (1.94743e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.319879250560541 (1.68349e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.319879235729276 (3.43326e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.319879227958102 (1.79893e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.319879225421853 (5.87111e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.319879224813201 (1.40896e-08% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.319879224663673 (3.4614e-09% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.31987922462695 (8.50085e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.319879224622897 (9.3837e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721
elapsed time for k point: 0.0477447509765625
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.349129535370816 (0.255944% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.347666951089962 (0.033635% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.347512401085769 (0.00355484% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.347489679971983 (0.000522625% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.347484415105871 (0.000121101% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.347482964576337 (3.33648e-05% change)
linmin: converged after 18 iterations.
iteration 7: trace = 4.347482711409491 (5.8233e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.347482493192526 (5.01939e-06% change)
linmin: converged after 12 iterations.
iteration 9: trace = 4.347482344420546 (3.42203e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.347482298963948 (1.04558e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.347482289718709 (2.12657e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.347482287039397 (6.1629e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.347482286360999 (1.56044e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.347482286300156 (1.3995e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.347482286295715 (1.02149e-10% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.3474822862955 (4.94399e-12% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513
elapsed time for k point: 0.05437302589416504
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.383709611536421 (0.261984% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.382001036495846 (0.0389831% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.381788780260462 (0.00484394% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.381750715857315 (0.000868699% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.381738092896315 (0.000288081% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.381730455726061 (0.000174296% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.381717816255641 (0.000288459% change)
large trace change predicted (0.00139713%)
linmin: converged after 4 iterations.
iteration 8: trace = 4.381656919176987 (0.00138981% change)
large trace change predicted (0.0051514%)
linmin: converged after 5 iterations.
iteration 9: trace = 4.381441330733306 (0.00492037% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.381282131279325 (0.00363356% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.381241296825334 (0.000932025% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.381221871387272 (0.000443378% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.381216164335712 (0.000130262% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.381215701244823 (1.05699e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.381215670929221 (6.91945e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.381215668899547 (4.63267e-08% change)
linmin: converged after 15 iterations.
iteration 17: trace = 4.38121566842275 (1.08827e-08% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.38121566818573 (5.40992e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.381215667875738 (7.07548e-09% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.381215667457712 (9.54132e-09% change)
large trace change predicted (2.89871e-08%)
linmin: converged after 4 iterations.
iteration 21: trace = 4.381215666187726 (2.89871e-08% change)
large trace change predicted (1.22559e-07%)
linmin: converged after 2 iterations.
iteration 22: trace = 4.38121566081816 (1.22559e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.381215657974622 (6.49029e-08% change)
linmin: converged after 11 iterations.
iteration 24: trace = 4.381215657571819 (9.19387e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 4.381215657498213 (1.68004e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.38121565748099 (3.93123e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.381215657476101 (1.11579e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.381215657475532 (1.29946e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053
elapsed time for k point: 0.09332537651062012
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.331786090078049 (0.980962% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.325045837959946 (0.155721% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.323282384521733 (0.0407814% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.322801726673121 (0.0111185% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.322744261437419 (0.00132936% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.322738562405229 (0.000131838% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.322737639096739 (2.13593e-05% change)
linmin: converged after 14 iterations.
iteration 8: trace = 4.322737373315284 (6.14845e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.322737323966322 (1.14161e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.322737320305619 (8.46848e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.322737319841387 (1.07393e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.32273731950741 (7.72606e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.322737319388514 (2.75048e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.322737319377672 (2.50813e-10% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.322737319376866 (1.86358e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543
elapsed time for k point: 0.05102038383483887
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.30733259192351 (0.923129% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.302220684623329 (0.11875% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.301135561283071 (0.0252256% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.300888756572574 (0.00573829% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.3008568198607 (0.000742564% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.300852819316737 (9.30174e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.300851758232528 (2.46715e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.300851520938096 (5.51738e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.300851493117166 (6.4687e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.300851491505008 (3.74846e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.30085149141083 (2.18975e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.300851491406211 (1.07386e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.300851491405948 (6.13341e-12% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529
elapsed time for k point: 0.044599056243896484
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.324349374017137 (0.940312% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.31885438777056 (0.127152% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.317434132378246 (0.0328904% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.317148349406809 (0.0066195% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.317118057908731 (0.000701658% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.317114586099012 (8.04196e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.317113326114097 (2.91858e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.317112957372542 (8.54139e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.31711290354308 (1.24689e-06% change)
linmin: converged after 14 iterations.
iteration 10: trace = 4.317112897314944 (1.44266e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.317112896825685 (1.1333e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.31711289679096 (8.0436e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.317112896788793 (5.01786e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993
elapsed time for k point: 0.044649362564086914
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.370612521887688 (1.0309% change)
linmin: converged after 3 iterations.
iteration 2: trace = 4.362179672344748 (0.193131% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.358935647496757 (0.0743947% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.358364216793742 (0.0131103% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.358306058549726 (0.00133441% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.358298660455427 (0.000169747% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.358297720839165 (2.15592e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.358297586070673 (3.09223e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.358297546325382 (9.11945e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.358297522360147 (5.49876e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.358297517194552 (1.18523e-07% change)
linmin: converged after 15 iterations.
iteration 12: trace = 4.358297516480512 (1.63835e-08% change)
linmin: converged after 14 iterations.
iteration 13: trace = 4.358297516296371 (4.22506e-09% change)
linmin: converged after 8 iterations.
iteration 14: trace = 4.358297516225988 (1.61492e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.35829751621598 (2.29651e-10% change)
linmin: converged after 14 iterations.
iteration 16: trace = 4.358297516212385 (8.24739e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248
elapsed time for k point: 0.054392337799072266
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.411986819853022 (1.21496% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.395278738318527 (0.379416% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.386670154538979 (0.196052% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.385375435085717 (0.0295192% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.385158037461173 (0.00495745% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.385115462211111 (0.000970899% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.385101645836655 (0.000315075% change)
linmin: converged after 6 iterations.
iteration 8: trace = 4.385091804775308 (0.000224421% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.385087112979726 (0.000106994% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.385086288853222 (1.87938e-05% change)
linmin: converged after 18 iterations.
iteration 11: trace = 4.385086150105526 (3.16408e-06% change)
linmin: converged after 24 iterations.
iteration 12: trace = 4.385086139697305 (2.37355e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.385086139058149 (1.45757e-08% change)
linmin: converged after 18 iterations.
iteration 14: trace = 4.385086138940978 (2.67204e-09% change)
large trace change predicted (7.99145e-09%)
linmin: converged after 19 iterations.
iteration 15: trace = 4.385086138590539 (7.99161e-09% change)
large trace change predicted (6.99046e-08%)
linmin: converged after 4 iterations.
iteration 16: trace = 4.385086135525146 (6.9905e-08% change)
large trace change predicted (2.99638e-07%)
linmin: converged after 15 iterations.
iteration 17: trace = 4.38508612238568 (2.9964e-07% change)
large trace change predicted (1.05365e-06%)
linmin: converged after 4 iterations.
iteration 18: trace = 4.385086076184955 (1.05359e-06% change)
near maximum in trace
linmin: converged after 11 iterations.
iteration 19: trace = 4.385075354205838 (0.00024451% change)
linmin: converged after 9 iterations.
iteration 20: trace = 4.385074742555071 (1.39485e-05% change)
linmin: converged after 7 iterations.
iteration 21: trace = 4.385074123016911 (1.41283e-05% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.385073489483645 (1.44475e-05% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.385072830671909 (1.5024e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.385072133156352 (1.59066e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.385071381701924 (1.71367e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 4.38507055881408 (1.87657e-05% change)
linmin: converged after 11 iterations.
iteration 27: trace = 4.385069644258448 (2.08561e-05% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.385068615201292 (2.34673e-05% change)
linmin: converged after 6 iterations.
iteration 29: trace = 4.385067448165703 (2.66139e-05% change)
linmin: converged after 12 iterations.
iteration 30: trace = 4.385066125006874 (3.01742e-05% change)
linmin: converged after 10 iterations.
iteration 31: trace = 4.385064645392967 (3.37421e-05% change)
linmin: converged after 10 iterations.
iteration 32: trace = 4.385063043532337 (3.65299e-05% change)
linmin: converged after 7 iterations.
iteration 33: trace = 4.385061393686593 (3.76242e-05% change)
linmin: converged after 6 iterations.
iteration 34: trace = 4.385059785765457 (3.66682e-05% change)
linmin: converged after 6 iterations.
iteration 35: trace = 4.38505828571092 (3.42083e-05% change)
linmin: converged after 10 iterations.
iteration 36: trace = 4.385056918715764 (3.11739e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 4.38505568014297 (2.82453e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 4.385054552447188 (2.57168e-05% change)
linmin: converged after 6 iterations.
iteration 39: trace = 4.385053515901609 (2.36381e-05% change)
linmin: converged after 5 iterations.
iteration 40: trace = 4.385052553115354 (2.19561e-05% change)
linmin: converged after 10 iterations.
iteration 41: trace = 4.385051650230681 (2.05901e-05% change)
linmin: converged after 8 iterations.
iteration 42: trace = 4.385050796780807 (1.94627e-05% change)
linmin: converged after 5 iterations.
iteration 43: trace = 4.385049985135449 (1.85094e-05% change)
linmin: converged after 5 iterations.
iteration 44: trace = 4.385049209893258 (1.76792e-05% change)
linmin: converged after 6 iterations.
iteration 45: trace = 4.385048467337937 (1.69338e-05% change)
linmin: converged after 8 iterations.
iteration 46: trace = 4.385047754984416 (1.62451e-05% change)
linmin: converged after 12 iterations.
iteration 47: trace = 4.385047071278264 (1.55918e-05% change)
linmin: converged after 4 iterations.
iteration 48: trace = 4.385046415093593 (1.49641e-05% change)
linmin: converged after 7 iterations.
iteration 49: trace = 4.385045785697033 (1.43532e-05% change)
linmin: converged after 8 iterations.
iteration 50: trace = 4.385045182665159 (1.3752e-05% change)
linmin: converged after 6 iterations.
iteration 51: trace = 4.385044605515017 (1.31618e-05% change)
linmin: converged after 7 iterations.
iteration 52: trace = 4.385044053772608 (1.25824e-05% change)
linmin: converged after 5 iterations.
iteration 53: trace = 4.385043526949073 (1.20141e-05% change)
linmin: converged after 6 iterations.
iteration 54: trace = 4.38504302444603 (1.14595e-05% change)
linmin: converged after 7 iterations.
iteration 55: trace = 4.385042545584802 (1.09203e-05% change)
linmin: converged after 5 iterations.
iteration 56: trace = 4.385042089573762 (1.03992e-05% change)
linmin: converged after 6 iterations.
iteration 57: trace = 4.385041655577478 (9.8972e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 4.385041242694529 (9.41571e-06% change)
linmin: converged after 7 iterations.
iteration 59: trace = 4.385040849983951 (8.95569e-06% change)
linmin: converged after 5 iterations.
iteration 60: trace = 4.385040476484113 (8.51759e-06% change)
linmin: converged after 5 iterations.
iteration 61: trace = 4.385040121217231 (8.10179e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 4.385039783217611 (7.70802e-06% change)
linmin: converged after 5 iterations.
iteration 63: trace = 4.385039461533078 (7.33595e-06% change)
linmin: converged after 8 iterations.
iteration 64: trace = 4.385039155231173 (6.98516e-06% change)
linmin: converged after 5 iterations.
iteration 65: trace = 4.385038863412921 (6.65486e-06% change)
linmin: converged after 5 iterations.
iteration 66: trace = 4.385038585211775 (6.34433e-06% change)
linmin: converged after 11 iterations.
iteration 67: trace = 4.385038319799365 (6.05268e-06% change)
linmin: converged after 5 iterations.
iteration 68: trace = 4.385038066386834 (5.77903e-06% change)
linmin: converged after 5 iterations.
iteration 69: trace = 4.385037824224584 (5.52247e-06% change)
resetting CG direction...
large trace change predicted (0.00313316%)
linmin: converged after 4 iterations.
iteration 70: trace = 4.384900323834382 (0.00313572% change)
linmin: converged after 5 iterations.
iteration 71: trace = 4.384884251653409 (0.000366535% change)
linmin: converged after 15 iterations.
iteration 72: trace = 4.384873438099873 (0.00024661% change)
linmin: converged after 4 iterations.
iteration 73: trace = 4.384870687921397 (6.27197e-05% change)
linmin: converged after 8 iterations.
iteration 74: trace = 4.384870449208404 (5.44401e-06% change)
linmin: converged after 3 iterations.
iteration 75: trace = 4.384870415805898 (7.61767e-07% change)
linmin: converged after 6 iterations.
iteration 76: trace = 4.38487040111867 (3.34952e-07% change)
linmin: converged after 3 iterations.
iteration 77: trace = 4.384870393492229 (1.73926e-07% change)
linmin: converged after 3 iterations.
iteration 78: trace = 4.384870389505634 (9.09171e-08% change)
linmin: converged after 17 iterations.
iteration 79: trace = 4.384870388333979 (2.67204e-08% change)
linmin: converged after 7 iterations.
iteration 80: trace = 4.384870388228482 (2.40593e-09% change)
linmin: converged after 5 iterations.
iteration 81: trace = 4.384870388201534 (6.14553e-10% change)
large trace change predicted (3.52788e-09%)
linmin: converged after 3 iterations.
iteration 82: trace = 4.384870388046835 (3.52803e-09% change)
large trace change predicted (3.76309e-08%)
linmin: converged after 11 iterations.
iteration 83: trace = 4.384870386396763 (3.7631e-08% change)
large trace change predicted (1.53218e-07%)
linmin: converged after 4 iterations.
iteration 84: trace = 4.384870379678431 (1.53216e-07% change)
linmin: converged after 12 iterations.
iteration 85: trace = 4.384870373496177 (1.40991e-07% change)
linmin: converged after 5 iterations.
iteration 86: trace = 4.384870369364628 (9.42228e-08% change)
linmin: converged after 4 iterations.
iteration 87: trace = 4.384870363595912 (1.3156e-07% change)
linmin: converged after 4 iterations.
iteration 88: trace = 4.384870360433216 (7.21275e-08% change)
linmin: converged after 4 iterations.
iteration 89: trace = 4.384870359582584 (1.93993e-08% change)
linmin: converged after 19 iterations.
iteration 90: trace = 4.384870359189021 (8.97547e-09% change)
linmin: converged after 5 iterations.
iteration 91: trace = 4.384870359114158 (1.7073e-09% change)
linmin: converged after 3 iterations.
iteration 92: trace = 4.384870359106892 (1.6571e-10% change)
linmin: converged after 6 iterations.
iteration 93: trace = 4.384870359106214 (1.5455e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928
elapsed time for k point: 0.25150132179260254
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0>
Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0>
Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318%
Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983%
Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398%
Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781%
total elapsed time for run: 1.1584117412567139
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0.166667,0.166667,0)
radius 0.14, height 1e+20, axis (0, 0, 1)
cylinder, center = (-0.166667,-0.166667,0)
radius 0.14, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.0015177726745605469
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...
near maximum in trace
linmin: converged after 12 iterations.
iteration 1: trace = 17.92607897538319 (194.877% change)
linmin: converged after 7 iterations.
iteration 2: trace = 7.881119914880881 (77.8462% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.848510109177969 (14.0209% change)
linmin: converged after 7 iterations.
iteration 4: trace = 6.588886523633432 (3.86419% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.523769424240228 (0.993195% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.496465469866148 (0.419408% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.483109823717936 (0.205795% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.47489345606278 (0.126815% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.472166897132243 (0.0421186% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.470881088000219 (0.0198687% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.470157573753596 (0.0111817% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.469608843969674 (0.00848129% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.469122408660828 (0.00751906% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.468841027070809 (0.0043497% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.468666577909485 (0.0026968% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.468592519452094 (0.00114489% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.468566795431892 (0.000397676% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.468554711940077 (0.000186803% change)
linmin: converged after 5 iterations.
iteration 19: trace = 6.468546490013788 (0.000127106% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.468532135358178 (0.000221915% change)
large trace change predicted (0.00051345%)
linmin: converged after 5 iterations.
iteration 21: trace = 6.468498926665532 (0.00051339% change)
large trace change predicted (0.00142191%)
linmin: converged after 5 iterations.
iteration 22: trace = 6.468407161827736 (0.00141865% change)
large trace change predicted (0.00515645%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.468086335224053 (0.00496002% change)
large trace change predicted (0.0109938%)
linmin: converged after 11 iterations.
iteration 24: trace = 6.467419876416453 (0.0103043% change)
linmin: converged after 7 iterations.
iteration 25: trace = 6.466887403808943 (0.00823349% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.46664078986795 (0.00381356% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.466547272917 (0.00144615% change)
linmin: converged after 8 iterations.
iteration 28: trace = 6.466507039001571 (0.000622187% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.466489937738228 (0.000264459% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.466483473165567 (9.99704e-05% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.466478920808034 (7.03993e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.466475299913414 (5.59949e-05% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.46647264014508 (4.11317e-05% change)
linmin: converged after 4 iterations.
iteration 34: trace = 6.466470979754835 (2.56769e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.466469915055258 (1.64649e-05% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.466469179614521 (1.13731e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.46646875172329 (6.61708e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.466468412457695 (5.24654e-06% change)
linmin: converged after 6 iterations.
iteration 39: trace = 6.466467929858439 (7.4631e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.466467100420315 (1.28268e-05% change)
large trace change predicted (2.85188e-05%)
linmin: converged after 5 iterations.
iteration 41: trace = 6.466465255870575 (2.85248e-05% change)
large trace change predicted (6.2393e-05%)
linmin: converged after 6 iterations.
iteration 42: trace = 6.466461220016761 (6.24121e-05% change)
large trace change predicted (0.000157529%)
linmin: converged after 5 iterations.
iteration 43: trace = 6.46645103001381 (0.000157582% change)
linmin: converged after 8 iterations.
iteration 44: trace = 6.466433013341643 (0.000278618% change)
linmin: converged after 6 iterations.
iteration 45: trace = 6.466416782672162 (0.000250999% change)
linmin: converged after 5 iterations.
iteration 46: trace = 6.4664094905272 (0.00011277% change)
linmin: converged after 5 iterations.
iteration 47: trace = 6.466406899774644 (4.00648e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.46640609447639 (1.24536e-05% change)
linmin: converged after 5 iterations.
iteration 49: trace = 6.466405844610549 (3.86406e-06% change)
linmin: converged after 2 iterations.
iteration 50: trace = 6.466405769905435 (1.15528e-06% change)
linmin: converged after 2 iterations.
iteration 51: trace = 6.466405747179933 (3.51439e-07% change)
linmin: converged after 5 iterations.
iteration 52: trace = 6.466405737995057 (1.4204e-07% change)
linmin: converged after 2 iterations.
iteration 53: trace = 6.466405731537542 (9.98625e-08% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.466405724918882 (1.02355e-07% change)
linmin: converged after 2 iterations.
iteration 55: trace = 6.46640571804728 (1.06266e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.46640571327516 (7.37987e-08% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.466405709707839 (5.5167e-08% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.466405707036908 (4.13047e-08% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.46640570413072 (4.49429e-08% change)
linmin: converged after 2 iterations.
iteration 60: trace = 6.466405699086192 (7.80113e-08% change)
large trace change predicted (1.56029e-07%)
linmin: converged after 4 iterations.
iteration 61: trace = 6.466405688996683 (1.5603e-07% change)
large trace change predicted (3.74427e-07%)
linmin: converged after 10 iterations.
iteration 62: trace = 6.466405664784492 (3.7443e-07% change)
linmin: converged after 5 iterations.
iteration 63: trace = 6.466405627488661 (5.76763e-07% change)
linmin: converged after 12 iterations.
iteration 64: trace = 6.466405586875672 (6.28061e-07% change)
linmin: converged after 23 iterations.
iteration 65: trace = 6.466405565064147 (3.37305e-07% change)
linmin: converged after 6 iterations.
iteration 66: trace = 6.4664055559071 (1.4161e-07% change)
linmin: converged after 3 iterations.
iteration 67: trace = 6.46640555260463 (5.10712e-08% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.466405551334199 (1.96466e-08% change)
linmin: converged after 2 iterations.
iteration 69: trace = 6.466405550798717 (8.28098e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.466405550641908 (2.42498e-09% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.466405550503332 (2.14302e-09% change)
linmin: converged after 9 iterations.
iteration 72: trace = 6.466405550444732 (9.06212e-10% change)
linmin: converged after 2 iterations.
iteration 73: trace = 6.466405550414196 (4.72232e-10% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.466405550383241 (4.78702e-10% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.466405550351419 (4.92121e-10% change)
large trace change predicted (1.03796e-09%)
linmin: converged after 4 iterations.
iteration 76: trace = 6.466405550284295 (1.03804e-09% change)
large trace change predicted (2.15828e-09%)
linmin: converged after 3 iterations.
iteration 77: trace = 6.466405550144725 (2.15837e-09% change)
large trace change predicted (4.86816e-09%)
linmin: converged after 2 iterations.
iteration 78: trace = 6.466405549829948 (4.86789e-09% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.466405549268318 (8.68535e-09% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.466405548565625 (1.08668e-08% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.466405547892629 (1.04076e-08% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.466405547384065 (7.86471e-09% change)
linmin: converged after 3 iterations.
iteration 83: trace = 6.466405546956302 (6.61517e-09% change)
linmin: converged after 12 iterations.
iteration 84: trace = 6.466405546505226 (6.97568e-09% change)
linmin: converged after 5 iterations.
iteration 85: trace = 6.466405546056942 (6.93251e-09% change)
linmin: converged after 7 iterations.
iteration 86: trace = 6.466405545724251 (5.14492e-09% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.466405545536705 (2.90031e-09% change)
linmin: converged after 2 iterations.
iteration 88: trace = 6.46640554546141 (1.16439e-09% change)
linmin: converged after 3 iterations.
iteration 89: trace = 6.466405545440695 (3.20348e-10% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.466405545433981 (1.03839e-10% change)
linmin: converged after 3 iterations.
iteration 91: trace = 6.466405545431611 (3.66457e-11% change)
Finished solving for bands 2 to 8 after 91 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334
elapsed time for k point: 0.2461566925048828
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.464067053669357 (0.950104% change)
linmin: converged after 6 iterations.
iteration 2: trace = 6.434765702784639 (0.454326% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.415644747700409 (0.297593% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.394653603632566 (0.327723% change)
linmin: converged after 5 iterations.
iteration 5: trace = 6.384220860662882 (0.163281% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.377901272319226 (0.0990366% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.375261062399932 (0.0414048% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.373625086028884 (0.0256646% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.372011047626751 (0.0253269% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.370462458419555 (0.0243059% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.369069011403234 (0.021876% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.368402519858785 (0.0104651% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.368153913662254 (0.00390382% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.368046529099064 (0.00168629% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.368001436765208 (0.000708106% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.367977391422778 (0.000377597% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.367957304381571 (0.000315439% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.367940626652769 (0.000261901% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.367929610028832 (0.000173002% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.367922428078566 (0.000112783% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.367918388195516 (6.34412e-05% change)
linmin: converged after 5 iterations.
iteration 22: trace = 6.367915639597514 (4.31632e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 6.36791367406002 (3.08663e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 6.367912248326844 (2.23893e-05% change)
linmin: converged after 16 iterations.
iteration 25: trace = 6.367910983142096 (1.98681e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.367910002777575 (1.53954e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.36790948337494 (8.15656e-06% change)
linmin: converged after 17 iterations.
iteration 28: trace = 6.367909240413528 (3.8154e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.367909155901631 (1.32715e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 6.367909122690511 (5.21539e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 6.367909103766926 (2.97171e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.367909090577581 (2.07122e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.367909079277712 (1.7745e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 6.36790906864871 (1.66915e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.367909061036064 (1.19547e-07% change)
linmin: converged after 4 iterations.
iteration 36: trace = 6.367909056621686 (6.93223e-08% change)
linmin: converged after 7 iterations.
iteration 37: trace = 6.367909054296987 (3.65065e-08% change)
linmin: converged after 25 iterations.
iteration 38: trace = 6.367909052624112 (2.62704e-08% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.367909051314635 (2.05637e-08% change)
linmin: converged after 19 iterations.
iteration 40: trace = 6.367909050370923 (1.48198e-08% change)
linmin: converged after 12 iterations.
iteration 41: trace = 6.367909049791789 (9.09459e-09% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.367909049418208 (5.86661e-09% change)
linmin: converged after 7 iterations.
iteration 43: trace = 6.367909049257634 (2.52162e-09% change)
linmin: converged after 15 iterations.
iteration 44: trace = 6.367909049201551 (8.80701e-10% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.36790904918262 (2.97296e-10% change)
linmin: converged after 16 iterations.
iteration 46: trace = 6.367909049171294 (1.77861e-10% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.36790904915873 (1.97291e-10% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.367909049144634 (2.21364e-10% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.367909049133674 (1.72115e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.367909049127841 (9.15947e-11% change)
Finished solving for bands 1 to 8 after 50 iterations.
tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036
elapsed time for k point: 0.16527533531188965
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 8 iterations.
iteration 1: trace = 6.320003260588898 (0.45358% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.311018991319353 (0.142257% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.308745252010862 (0.0360346% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.30786887448632 (0.0138924% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.307557660640787 (0.00493386% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.307472354505054 (0.00135245% change)
linmin: converged after 18 iterations.
iteration 7: trace = 6.307433279783377 (0.000619501% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.307420189300787 (0.000207541% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.307414904205114 (8.37918e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.307412046921455 (4.53004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.307410415159065 (2.58706e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 6.307409446531607 (1.5357e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.307408968969276 (7.57145e-06% change)
linmin: converged after 26 iterations.
iteration 14: trace = 6.307408722233328 (3.91184e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.307408593328495 (2.04371e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 6.307408549531673 (6.94371e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.307408534807223 (2.33447e-07% change)
linmin: converged after 8 iterations.
iteration 18: trace = 6.307408529970343 (7.66857e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.307408528488401 (2.34953e-08% change)
linmin: converged after 10 iterations.
iteration 20: trace = 6.307408528005171 (7.66131e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.307408527853786 (2.40011e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.307408527794083 (9.46559e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.307408527756509 (5.95704e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 6.307408527736825 (3.12074e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.307408527727556 (1.46969e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.307408527722558 (7.92367e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834
elapsed time for k point: 0.08668375015258789
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.297463613016943 (0.437255% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.286946394765085 (0.167147% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.284028604057987 (0.0464211% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.282826267186057 (0.019135% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.282353152588189 (0.00753057% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.282211510432963 (0.00225463% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.28210807752835 (0.00164645% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.282049428305429 (0.000933596% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.282007604384527 (0.000665771% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.28198892944936 (0.000297277% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.281981237844897 (0.000122439% change)
linmin: converged after 5 iterations.
iteration 12: trace = 6.281976759972078 (7.12812e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.281973995724723 (4.40028e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.2819724946079 (2.38956e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.281971806094752 (1.09601e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 6.281971630844388 (2.78974e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.281971579295186 (8.2059e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.281971566101337 (2.10027e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.281971562304189 (6.04452e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.281971560806635 (2.38389e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.281971560352624 (7.22721e-09% change)
linmin: converged after 18 iterations.
iteration 22: trace = 6.281971560186316 (2.64738e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.281971560120156 (1.05318e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.281971560091684 (4.53239e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.281971560080303 (1.81157e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.281971560075127 (8.23994e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655
elapsed time for k point: 0.08645391464233398
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.300840158369326 (0.430756% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.289206684355614 (0.184804% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.286050269834831 (0.0502004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.284751976800665 (0.0206557% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.28407227131049 (0.0108157% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.283704056617327 (0.00585966% change)
linmin: converged after 7 iterations.
iteration 7: trace = 6.2832585270345 (0.00709049% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.283014882136316 (0.00387776% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.282869782341344 (0.00230942% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.282800167351094 (0.00110802% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.28274700499586 (0.000846161% change)
linmin: converged after 9 iterations.
iteration 12: trace = 6.282703557060905 (0.000691546% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.282682229334572 (0.000339468% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.282675130392991 (0.000112992% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.282672608965546 (4.0133e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 6.282672096548786 (8.15603e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.282671912329325 (2.93218e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 6.28267184119006 (1.13231e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 6.282671801233814 (6.35975e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.282671779010525 (3.53724e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.28267177078478 (1.30928e-07% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.282671767753041 (4.82556e-08% change)
linmin: converged after 16 iterations.
iteration 23: trace = 6.282671766763957 (1.57431e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 6.282671766458821 (4.85679e-09% change)
linmin: converged after 13 iterations.
iteration 25: trace = 6.282671766336982 (1.93928e-09% change)
linmin: converged after 8 iterations.
iteration 26: trace = 6.282671766260689 (1.21434e-09% change)
linmin: converged after 10 iterations.
iteration 27: trace = 6.282671766201561 (9.41125e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.282671766155276 (7.36719e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.282671766133061 (3.53593e-10% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.282671766123542 (1.51506e-10% change)
linmin: converged after 6 iterations.
iteration 31: trace = 6.28267176611981 (5.94035e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665
elapsed time for k point: 0.10288023948669434
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.32305852451857 (0.41541% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.311730025503867 (0.179322% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.308426930511856 (0.0523463% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.306501212724845 (0.0305308% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.304352136232588 (0.034083% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.302203468400638 (0.0340881% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.299495340678916 (0.0429804% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.298130082632392 (0.0216748% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.296931272767017 (0.0190362% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.295807443255548 (0.0178488% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.294899315455991 (0.0144254% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.294524809215385 (0.00594954% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.294437485924472 (0.0013873% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.294418376016299 (0.0003036% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.29441118909261 (0.000114179% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.294408935263553 (3.58068e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.294407437985897 (2.37874e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 6.294406459003853 (1.55532e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 6.294405986379172 (7.50865e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.294405825788342 (2.55133e-06% change)
linmin: converged after 11 iterations.
iteration 21: trace = 6.294405782629283 (6.85673e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.294405766447001 (2.5709e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.294405751369214 (2.39543e-07% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.294405733484961 (2.84129e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.294405719045192 (2.29406e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.294405712361771 (1.0618e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.294405710179676 (3.46672e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 6.294405708996514 (1.8797e-08% change)
linmin: converged after 17 iterations.
iteration 29: trace = 6.294405707877621 (1.7776e-08% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.294405706286289 (2.52817e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 6.294405704817201 (2.33396e-08% change)
linmin: converged after 5 iterations.
iteration 32: trace = 6.294405704102932 (1.13477e-08% change)
linmin: converged after 17 iterations.
iteration 33: trace = 6.29440570376873 (5.30951e-09% change)
linmin: converged after 5 iterations.
iteration 34: trace = 6.294405703545728 (3.54286e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 6.29440570340198 (2.28373e-09% change)
linmin: converged after 12 iterations.
iteration 36: trace = 6.294405703320329 (1.2972e-09% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.294405703286797 (5.32732e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.294405703273481 (2.1156e-10% change)
linmin: converged after 6 iterations.
iteration 39: trace = 6.294405703268606 (7.7439e-11% change)
Finished solving for bands 1 to 8 after 39 iterations.
tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202
elapsed time for k point: 0.12888526916503906
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.304124176924446 (0.136202% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.299143727762917 (0.0790343% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.297619114860192 (0.0242064% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.296869484147609 (0.0119041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.296579810595722 (0.00460038% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.296498469687463 (0.00129184% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.29647411415061 (0.000386812% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.296468894841439 (8.28926e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 6.296468163009845 (1.16229e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.296467941171192 (3.52322e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.29646786532974 (1.20451e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.296467833969841 (4.98055e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 6.296467809829995 (3.83387e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.296467783022479 (4.25755e-07% change)
linmin: converged after 23 iterations.
iteration 15: trace = 6.296467750315609 (5.19448e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.296467727879383 (3.5633e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.296467716753019 (1.76708e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.296467707688741 (1.43958e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 6.296467699980609 (1.2242e-07% change)
linmin: converged after 27 iterations.
iteration 20: trace = 6.296467694261516 (9.08302e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.296467691403795 (4.53861e-08% change)
linmin: converged after 18 iterations.
iteration 22: trace = 6.296467690402601 (1.59009e-08% change)
linmin: converged after 12 iterations.
iteration 23: trace = 6.296467690046346 (5.65801e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.296467689824289 (3.52669e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.296467689597056 (3.6089e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.296467689392047 (3.25593e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.296467689305398 (1.37615e-09% change)
linmin: converged after 7 iterations.
iteration 28: trace = 6.296467689279564 (4.10301e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.296467689270653 (1.41525e-10% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.296467689265775 (7.747e-11% change)
Finished solving for bands 1 to 8 after 30 iterations.
tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197
elapsed time for k point: 0.10015487670898438
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.30975586923275 (0.140741% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.304446785318165 (0.0841763% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.302898425009155 (0.0245628% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.302200209028445 (0.0110783% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.301949962624072 (0.00397086% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.301878185411298 (0.00113897% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.301853710018614 (0.000388383% change)
linmin: converged after 2 iterations.
iteration 8: trace = 6.30184808726186 (8.92239e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.301846911960207 (1.86501e-05% change)
linmin: converged after 7 iterations.
iteration 10: trace = 6.301846388216834 (8.31095e-06% change)
linmin: converged after 16 iterations.
iteration 11: trace = 6.301846085007986 (4.81143e-06% change)
linmin: converged after 7 iterations.
iteration 12: trace = 6.301845888867719 (3.11243e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 6.301845757622948 (2.08264e-06% change)
linmin: converged after 8 iterations.
iteration 14: trace = 6.301845698619576 (9.36287e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 6.301845668235452 (4.82146e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 6.301845649790792 (2.92687e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.30184562932028 (3.24834e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.3018456018491 (4.35923e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 6.301845579579587 (3.53381e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.301845567110187 (1.97869e-07% change)
linmin: converged after 21 iterations.
iteration 21: trace = 6.301845561609795 (8.72822e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.301845559125029 (3.94292e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.301845557289972 (2.91194e-08% change)
linmin: converged after 14 iterations.
iteration 24: trace = 6.301845555247243 (3.24148e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.301845553038588 (3.50478e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.30184555168397 (2.14956e-08% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.301845551182753 (7.95349e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.301845550984639 (3.14374e-09% change)
linmin: converged after 6 iterations.
iteration 29: trace = 6.301845550903849 (1.28201e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 6.301845550857777 (7.31081e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.301845550833526 (3.84835e-10% change)
linmin: converged after 7 iterations.
iteration 32: trace = 6.301845550825478 (1.27705e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.301845550822882 (4.11966e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183
elapsed time for k point: 0.10963940620422363
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.317078115565954 (0.146594% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.311483197730214 (0.0886074% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.310056572930605 (0.0226062% change)
linmin: converged after 8 iterations.
iteration 4: trace = 6.309473827662909 (0.00923561% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.309287208923827 (0.0029578% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.3092292265646 (0.000919004% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.309202973780172 (0.000416102% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.309194406599303 (0.000135789% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.309190349198362 (6.43094e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.30918737596305 (4.71255e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.30918556745539 (2.86647e-05% change)
linmin: converged after 6 iterations.
iteration 12: trace = 6.309184755087376 (1.2876e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.309184446575687 (4.88988e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.3091843520256 (1.49861e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 6.309184300579695 (8.15413e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.30918425767296 (6.80068e-07% change)
linmin: converged after 28 iterations.
iteration 17: trace = 6.30918419871607 (9.34461e-07% change)
linmin: converged after 13 iterations.
iteration 18: trace = 6.309184133927531 (1.02689e-06% change)
linmin: converged after 7 iterations.
iteration 19: trace = 6.30918409968129 (5.428e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.309184084106096 (2.46865e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.309184076911389 (1.14035e-07% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.309184072438057 (7.09019e-08% change)
linmin: converged after 6 iterations.
iteration 23: trace = 6.309184068130108 (6.82806e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 6.30918406321269 (7.79406e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.309184056450055 (1.07187e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 6.309184051362617 (8.06354e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 6.309184048652941 (4.29481e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.309184047348843 (2.06698e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.309184046823375 (8.32863e-09% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.309184046545847 (4.39878e-09% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.309184046419697 (1.99948e-09% change)
linmin: converged after 7 iterations.
iteration 32: trace = 6.309184046373008 (7.40014e-10% change)
linmin: converged after 11 iterations.
iteration 33: trace = 6.309184046358341 (2.32463e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.309184046353368 (7.88202e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717
elapsed time for k point: 0.11339974403381348
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.32572780193767 (0.146427% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.320285470991051 (0.0860719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.319074550849309 (0.0191611% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.318622553858084 (0.00715315% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.318479349131765 (0.00226642% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.31842028843446 (0.000934734% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.318374042077405 (0.000731932% change)
linmin: converged after 7 iterations.
iteration 8: trace = 6.318349508622388 (0.000388288% change)
linmin: converged after 5 iterations.
iteration 9: trace = 6.318335411525507 (0.000223114% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.318328246609449 (0.000113399% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.31832558476924 (4.21289e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.318324523262488 (1.68004e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.318324118772354 (6.40186e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 6.318323928381334 (3.01332e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 6.318323717793441 (3.33297e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.318323450132179 (4.23627e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.318323137017827 (4.95566e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.318322959162462 (2.81491e-06% change)
linmin: converged after 22 iterations.
iteration 19: trace = 6.318322903495078 (8.81047e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.318322888313309 (2.40282e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 6.318322883797162 (7.1477e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.318322882181396 (2.55727e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.31832288139463 (1.24521e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.318322880964165 (6.81297e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.318322880605027 (5.68407e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.3183228802096 (6.25843e-09% change)
linmin: converged after 30 iterations.
iteration 27: trace = 6.318322879598529 (9.6714e-09% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.318322878497079 (1.74326e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.318322877602431 (1.41596e-08% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.318322877083818 (8.20808e-09% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.318322876807065 (4.38018e-09% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.318322876668269 (2.19672e-09% change)
linmin: converged after 10 iterations.
iteration 33: trace = 6.318322876613934 (8.59962e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.318322876598199 (2.49037e-10% change)
linmin: converged after 6 iterations.
iteration 35: trace = 6.318322876593966 (6.69966e-11% change)
Finished solving for bands 1 to 8 after 35 iterations.
tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722
elapsed time for k point: 0.1162259578704834
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.337373568352012 (0.139364% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.332424094185279 (0.0781303% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.331354309828022 (0.0168952% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.330940591280346 (0.00653465% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.330763210202731 (0.00280185% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.330643969808116 (0.00188353% change)
linmin: converged after 16 iterations.
iteration 7: trace = 6.330526348142682 (0.00185799% change)
linmin: converged after 17 iterations.
iteration 8: trace = 6.330475545201162 (0.000802511% change)
linmin: converged after 5 iterations.
iteration 9: trace = 6.330456130107853 (0.000306693% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.330448155868348 (0.000125966% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.330444917505769 (5.11554e-05% change)
linmin: converged after 6 iterations.
iteration 12: trace = 6.330441968361909 (4.65867e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.330438826387945 (4.96328e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.330433859958823 (7.84532e-05% change)
large trace change predicted (0.000173114%)
linmin: converged after 4 iterations.
iteration 15: trace = 6.330422902016024 (0.0001731% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.330408494653135 (0.00022759% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.330393091584735 (0.000243319% change)
linmin: converged after 5 iterations.
iteration 18: trace = 6.330384367767492 (0.000137809% change)
linmin: converged after 7 iterations.
iteration 19: trace = 6.330379302030503 (8.00226e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.330373672659224 (8.89263e-05% change)
large trace change predicted (0.000227718%)
linmin: converged after 5 iterations.
iteration 21: trace = 6.33035925724891 (0.000227718% change)
large trace change predicted (0.000970824%)
linmin: converged after 4 iterations.
iteration 22: trace = 6.330298260639156 (0.000963561% change)
large trace change predicted (0.00347969%)
linmin: converged after 6 iterations.
iteration 23: trace = 6.330100731410994 (0.00312043% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.329824561188028 (0.0043629% change)
linmin: converged after 5 iterations.
iteration 25: trace = 6.329581572606542 (0.00383886% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.329442198108147 (0.00220198% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.329368644701107 (0.00116209% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.329332395258531 (0.00057272% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.32932199067881 (0.000164387% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.329319097534167 (4.57102e-05% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.329318299781549 (1.26041e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.329317993705504 (4.83585e-06% change)
linmin: converged after 22 iterations.
iteration 33: trace = 6.329317822762581 (2.70081e-06% change)
linmin: converged after 5 iterations.
iteration 34: trace = 6.329317711511705 (1.75771e-06% change)
linmin: converged after 2 iterations.
iteration 35: trace = 6.329317634102344 (1.22303e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.329317560447074 (1.16372e-06% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.329317473969666 (1.3663e-06% change)
linmin: converged after 17 iterations.
iteration 38: trace = 6.329317376070318 (1.54676e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.329317304082064 (1.13738e-06% change)
linmin: converged after 2 iterations.
iteration 40: trace = 6.329317262529589 (6.56508e-07% change)
linmin: converged after 21 iterations.
iteration 41: trace = 6.329317230455207 (5.06759e-07% change)
linmin: converged after 8 iterations.
iteration 42: trace = 6.329317195172118 (5.57455e-07% change)
linmin: converged after 7 iterations.
iteration 43: trace = 6.329317162831521 (5.10965e-07% change)
linmin: converged after 9 iterations.
iteration 44: trace = 6.329317144688077 (2.86657e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 6.329317134236727 (1.65126e-07% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.32931712562798 (1.36014e-07% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.329317115427865 (1.61157e-07% change)
linmin: converged after 6 iterations.
iteration 48: trace = 6.329317101087421 (2.26572e-07% change)
linmin: converged after 2 iterations.
iteration 49: trace = 6.329317075124321 (4.10204e-07% change)
large trace change predicted (8.61034e-07%)
linmin: converged after 8 iterations.
iteration 50: trace = 6.329317020625254 (8.61058e-07% change)
large trace change predicted (2.13468e-06%)
linmin: converged after 3 iterations.
iteration 51: trace = 6.329316885504944 (2.13483e-06% change)
large trace change predicted (4.29494e-06%)
linmin: converged after 5 iterations.
iteration 52: trace = 6.329316613618884 (4.29566e-06% change)
linmin: converged after 6 iterations.
iteration 53: trace = 6.329316332917143 (4.43495e-06% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.329316191094067 (2.24073e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.329316143739841 (7.48173e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.329316126937146 (2.65474e-07% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.329316120029702 (1.09134e-07% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.329316116866351 (4.99794e-08% change)
linmin: converged after 2 iterations.
iteration 59: trace = 6.32931611541861 (2.28736e-08% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.3293161147542 (1.04973e-08% change)
linmin: converged after 2 iterations.
iteration 61: trace = 6.329316114257213 (7.85215e-09% change)
linmin: converged after 12 iterations.
iteration 62: trace = 6.329316113577727 (1.07355e-08% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.329316112502813 (1.69831e-08% change)
linmin: converged after 6 iterations.
iteration 64: trace = 6.329316111378638 (1.77614e-08% change)
linmin: converged after 21 iterations.
iteration 65: trace = 6.329316110808146 (9.01349e-09% change)
linmin: converged after 9 iterations.
iteration 66: trace = 6.32931611061163 (3.10486e-09% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.329316110525236 (1.36498e-09% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.329316110484315 (6.46532e-10% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.329316110466078 (2.88135e-10% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.32931611045862 (1.17819e-10% change)
linmin: converged after 11 iterations.
iteration 71: trace = 6.329316110451563 (1.11504e-10% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.329316110445914 (8.92484e-11% change)
Finished solving for bands 1 to 8 after 72 iterations.
tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498
elapsed time for k point: 0.23686552047729492
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.392697535565415 (0.520011% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.375242987596106 (0.273412% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.370715448082573 (0.0710427% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.368209752404007 (0.0393392% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.366423965129089 (0.0280462% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.365418549486456 (0.0157937% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.364762760708476 (0.0103029% change)
linmin: converged after 6 iterations.
iteration 8: trace = 6.364505250070454 (0.00404596% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.36431449875261 (0.00299716% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.36418777225265 (0.00199122% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.364105952509211 (0.00128564% change)
large trace change predicted (0.00305009%)
linmin: converged after 10 iterations.
iteration 12: trace = 6.363911985081294 (0.00304788% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 13: trace = 6.361499503685843 (0.037916% change)
linmin: converged after 7 iterations.
iteration 14: trace = 6.36027135349748 (0.0193078% change)
linmin: converged after 6 iterations.
iteration 15: trace = 6.359373322047383 (0.0141204% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.35855732958079 (0.0128322% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.357758965533478 (0.0125565% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.356950351663157 (0.0127193% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.356112163121015 (0.0131863% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.355221027897733 (0.0140211% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.354246279692957 (0.0153389% change)
linmin: converged after 7 iterations.
iteration 22: trace = 6.353159856642265 (0.0170991% change)
linmin: converged after 5 iterations.
iteration 23: trace = 6.351960899259382 (0.0188736% change)
linmin: converged after 6 iterations.
iteration 24: trace = 6.350699438134904 (0.0198614% change)
linmin: converged after 7 iterations.
iteration 25: trace = 6.349458077477557 (0.0195487% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.348291605894328 (0.0183729% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.34719789341557 (0.0172299% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.346140664692705 (0.016658% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.345081444270764 (0.0166922% change)
linmin: converged after 6 iterations.
iteration 30: trace = 6.343999288666795 (0.0170565% change)
linmin: converged after 8 iterations.
iteration 31: trace = 6.342898002201816 (0.017361% change)
linmin: converged after 5 iterations.
iteration 32: trace = 6.341800697171118 (0.0173012% change)
linmin: converged after 7 iterations.
iteration 33: trace = 6.340734205414506 (0.0168183% change)
linmin: converged after 5 iterations.
iteration 34: trace = 6.33971368572808 (0.016096% change)
linmin: converged after 5 iterations.
iteration 35: trace = 6.338736988232581 (0.0154072% change)
linmin: converged after 6 iterations.
iteration 36: trace = 6.337788381038601 (0.0149664% change)
linmin: converged after 6 iterations.
iteration 37: trace = 6.336845738992868 (0.0148745% change)
linmin: converged after 6 iterations.
iteration 38: trace = 6.335887564106003 (0.0151218% change)
linmin: converged after 5 iterations.
iteration 39: trace = 6.334899803119841 (0.0155912% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.333883398871754 (0.0160458% change)
linmin: converged after 7 iterations.
iteration 41: trace = 6.332860786517116 (0.0161464% change)
linmin: converged after 5 iterations.
iteration 42: trace = 6.331873878864389 (0.0155851% change)
linmin: converged after 5 iterations.
iteration 43: trace = 6.330966881367777 (0.0143253% change)
linmin: converged after 5 iterations.
iteration 44: trace = 6.330164357925478 (0.012677% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.329464426416618 (0.0110577% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.328847888420542 (0.00974124% change)
linmin: converged after 5 iterations.
iteration 47: trace = 6.32828988372113 (0.00881723% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.327766921089158 (0.00826423% change)
linmin: converged after 5 iterations.
iteration 49: trace = 6.327259864958589 (0.00801351% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.326755103975183 (0.00797788% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.326245117196401 (0.00806112% change)
linmin: converged after 6 iterations.
iteration 52: trace = 6.325728461773253 (0.00816719% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.325208588756622 (0.00821873% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.324691250215436 (0.00817933% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.324181374306374 (0.008062% change)
linmin: converged after 6 iterations.
iteration 56: trace = 6.323680907360477 (0.00791386% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.323188395290025 (0.00778868% change)
linmin: converged after 5 iterations.
iteration 58: trace = 6.322699858896263 (0.00772641% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.322210009625386 (0.00774777% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.321713097538986 (0.00786009% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.321203130511794 (0.00806724% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.320673555720772 (0.0083781% change)
linmin: converged after 5 iterations.
iteration 63: trace = 6.320116720804852 (0.00881013% change)
linmin: converged after 6 iterations.
iteration 64: trace = 6.319523559448256 (0.00938573% change)
linmin: converged after 5 iterations.
iteration 65: trace = 6.318884020578164 (0.0101206% change)
linmin: converged after 6 iterations.
iteration 66: trace = 6.318188804775419 (0.0110028% change)
linmin: converged after 7 iterations.
iteration 67: trace = 6.317432799520505 (0.0119663% change)
linmin: converged after 7 iterations.
iteration 68: trace = 6.316619714792608 (0.0128713% change)
linmin: converged after 5 iterations.
iteration 69: trace = 6.315765584707393 (0.0135229% change)
resetting CG direction...
large trace change predicted (0.188897%)
linmin: converged after 4 iterations.
iteration 70: trace = 6.303775215283887 (0.190029% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.30036008266891 (0.0541907% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.299320271825109 (0.0165054% change)
linmin: converged after 4 iterations.
iteration 73: trace = 6.299061190191026 (0.00411294% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.298946775233155 (0.0018164% change)
linmin: converged after 7 iterations.
iteration 75: trace = 6.298877894192596 (0.00109354% change)
linmin: converged after 6 iterations.
iteration 76: trace = 6.298793454107139 (0.00134057% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.298725861962364 (0.0010731% change)
linmin: converged after 5 iterations.
iteration 78: trace = 6.29868294733083 (0.000681325% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.298642217591597 (0.000646641% change)
linmin: converged after 13 iterations.
iteration 80: trace = 6.298616556646929 (0.000407405% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.298604027893521 (0.000198913% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.298598787140605 (8.3205e-05% change)
linmin: converged after 10 iterations.
iteration 83: trace = 6.298597356051435 (2.27208e-05% change)
linmin: converged after 2 iterations.
iteration 84: trace = 6.298596365659966 (1.5724e-05% change)
linmin: converged after 5 iterations.
iteration 85: trace = 6.298595760213274 (9.61241e-06% change)
linmin: converged after 7 iterations.
iteration 86: trace = 6.298595315608592 (7.05879e-06% change)
linmin: converged after 12 iterations.
iteration 87: trace = 6.298595099404392 (3.43258e-06% change)
linmin: converged after 13 iterations.
iteration 88: trace = 6.298595020053137 (1.25982e-06% change)
linmin: converged after 4 iterations.
iteration 89: trace = 6.298594974722617 (7.19693e-07% change)
linmin: converged after 6 iterations.
iteration 90: trace = 6.298594929358501 (7.20226e-07% change)
linmin: converged after 13 iterations.
iteration 91: trace = 6.298594895494825 (5.37639e-07% change)
linmin: converged after 4 iterations.
iteration 92: trace = 6.298594877349233 (2.8809e-07% change)
linmin: converged after 4 iterations.
iteration 93: trace = 6.298594868821886 (1.35385e-07% change)
linmin: converged after 4 iterations.
iteration 94: trace = 6.298594864524706 (6.82244e-08% change)
linmin: converged after 4 iterations.
iteration 95: trace = 6.298594862453187 (3.28886e-08% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.298594861905778 (8.69096e-09% change)
linmin: converged after 5 iterations.
iteration 97: trace = 6.298594861732249 (2.75505e-09% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.298594861685728 (7.38593e-10% change)
linmin: converged after 3 iterations.
iteration 99: trace = 6.298594861667213 (2.93954e-10% change)
linmin: converged after 4 iterations.
iteration 100: trace = 6.298594861658028 (1.45821e-10% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.298594861654125 (6.19607e-11% change)
Finished solving for bands 1 to 8 after 101 iterations.
tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591
elapsed time for k point: 0.3312954902648926
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.3065639871607 (0.575322% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.289554233350304 (0.270079% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.285540394320863 (0.0638379% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.283792833049898 (0.0278067% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.282960247915502 (0.0132506% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.282722744170227 (0.0037802% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.282637992351809 (0.00134898% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.282617671090315 (0.000323452% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.282612484408521 (8.25561e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.282610016564448 (3.92805e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.282609109449679 (1.44385e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.282608783832864 (5.18283e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 6.282608658505957 (1.99482e-06% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.282608607802806 (8.0704e-07% change)
linmin: converged after 10 iterations.
iteration 15: trace = 6.282608579576478 (4.49277e-07% change)
linmin: converged after 10 iterations.
iteration 16: trace = 6.282608566246182 (2.12178e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.282608558481405 (1.23592e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.282608555131906 (5.33138e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.282608553958246 (1.86811e-08% change)
linmin: converged after 9 iterations.
iteration 20: trace = 6.282608553518157 (7.00487e-09% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.282608553300057 (3.47149e-09% change)
linmin: converged after 10 iterations.
iteration 22: trace = 6.282608553188997 (1.76774e-09% change)
linmin: converged after 10 iterations.
iteration 23: trace = 6.282608553137478 (8.20022e-10% change)
linmin: converged after 7 iterations.
iteration 24: trace = 6.282608553118513 (3.01869e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.282608553113039 (8.71269e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367
elapsed time for k point: 0.0837395191192627
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.31797506784811 (0.565733% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.302973191720346 (0.23773% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.299244438394495 (0.0591761% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.297766221419135 (0.0234693% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.297098741183586 (0.0105992% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.296927857601 (0.00271372% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.296859980232965 (0.00107795% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.296840480940125 (0.000309667% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.296835118565341 (8.51598e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.296832556246112 (4.06922e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 6.296831447029666 (1.76155e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.296831011555438 (6.91577e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.296830859588107 (2.41339e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.296830816318607 (6.87163e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.296830799715155 (2.63679e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 6.296830794163726 (8.81623e-08% change)
linmin: converged after 6 iterations.
iteration 17: trace = 6.296830791811519 (3.73554e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.296830790795286 (1.61388e-08% change)
linmin: converged after 23 iterations.
iteration 19: trace = 6.296830790487538 (4.88734e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.296830790381245 (1.68805e-09% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.296830790332558 (7.73189e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.29683079030516 (4.35116e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 6.296830790293803 (1.80363e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 6.296830790289759 (6.42208e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734
elapsed time for k point: 0.08029937744140625
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.373209112052805 (0.562684% change)
linmin: converged after 10 iterations.
iteration 2: trace = 6.36031616157883 (0.202504% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.357504912907773 (0.0442096% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.356585097729216 (0.0144692% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.35623283030905 (0.00554193% change)
linmin: converged after 15 iterations.
iteration 6: trace = 6.356142086163289 (0.00142765% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.356092254702443 (0.000783992% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.356067894803361 (0.000383253% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.356057959423483 (0.000156313% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.356053442445841 (7.10657e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.356051425803924 (3.17279e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.35605045638662 (1.52519e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.356050073440102 (6.02491e-06% change)
linmin: converged after 21 iterations.
iteration 14: trace = 6.356049967376739 (1.6687e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.356049919529158 (7.52788e-07% change)
linmin: converged after 13 iterations.
iteration 16: trace = 6.35604990138872 (2.85404e-07% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.35604989273501 (1.36149e-07% change)
linmin: converged after 6 iterations.
iteration 18: trace = 6.356049887839807 (7.70164e-08% change)
linmin: converged after 16 iterations.
iteration 19: trace = 6.356049885346999 (3.92194e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.356049883857857 (2.34287e-08% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.356049883361589 (7.8078e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.356049883209118 (2.39883e-09% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.356049883160938 (7.5802e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.356049883141617 (3.03971e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.356049883134011 (1.19671e-10% change)
linmin: converged after 20 iterations.
iteration 26: trace = 6.356049883130346 (5.76557e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885
elapsed time for k point: 0.08722400665283203
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.484406768763917 (0.576704% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.471730173735265 (0.195685% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.469268167064959 (0.0380497% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.468362479663552 (0.0140008% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.468081016952982 (0.00435147% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.468019507054105 (0.000950981% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.467983140882891 (0.000562247% change)
linmin: converged after 6 iterations.
iteration 8: trace = 6.467960050007157 (0.000357003% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.467927172636435 (0.000508313% change)
linmin: converged after 13 iterations.
iteration 10: trace = 6.467898270580527 (0.000446853% change)
linmin: converged after 6 iterations.
iteration 11: trace = 6.467871940836138 (0.000407084% change)
linmin: converged after 5 iterations.
iteration 12: trace = 6.467850751198391 (0.000327614% change)
linmin: converged after 6 iterations.
iteration 13: trace = 6.46783573451671 (0.000232174% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.467812737194985 (0.000355565% change)
large trace change predicted (0.000926251%)
linmin: converged after 3 iterations.
iteration 15: trace = 6.467752878038727 (0.000925497% change)
large trace change predicted (0.00336724%)
linmin: converged after 6 iterations.
iteration 16: trace = 6.46753799228928 (0.00332247% change)
large trace change predicted (0.0076428%)
linmin: converged after 6 iterations.
iteration 17: trace = 6.467054240854877 (0.00747996% change)
linmin: converged after 6 iterations.
iteration 18: trace = 6.466680782267455 (0.00577495% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.466506550440609 (0.00269434% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.466437876282423 (0.001062% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.466417072559437 (0.000321719% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.466410918626344 (9.51676e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.466409279496674 (2.53484e-05% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.466408508486158 (1.19233e-05% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.466407804621172 (1.08849e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 6.466407055854146 (1.15793e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.466406660048698 (6.12095e-06% change)
linmin: converged after 22 iterations.
iteration 28: trace = 6.466406474881694 (2.86352e-06% change)
linmin: converged after 2 iterations.
iteration 29: trace = 6.466406394954898 (1.23603e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 6.46640636439996 (4.72518e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.466406353483286 (1.68821e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.466406348127093 (8.28311e-08% change)
linmin: converged after 2 iterations.
iteration 33: trace = 6.466406341479104 (1.02808e-07% change)
large trace change predicted (2.07292e-07%)
linmin: converged after 2 iterations.
iteration 34: trace = 6.466406328074751 (2.07292e-07% change)
large trace change predicted (4.92859e-07%)
linmin: converged after 3 iterations.
iteration 35: trace = 6.466406296204647 (4.92857e-07% change)
large trace change predicted (1.36404e-06%)
linmin: converged after 5 iterations.
iteration 36: trace = 6.466406207999212 (1.36406e-06% change)
large trace change predicted (3.01548e-06%)
linmin: converged after 5 iterations.
iteration 37: trace = 6.46640601299846 (3.0156e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.466405814967287 (3.06246e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.466405733805704 (1.25513e-06% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.466405707718298 (4.0343e-07% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.466405697281509 (1.614e-07% change)
linmin: converged after 13 iterations.
iteration 42: trace = 6.466405689115234 (1.26288e-07% change)
linmin: converged after 2 iterations.
iteration 43: trace = 6.466405679855011 (1.43205e-07% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.46640567344509 (9.91265e-08% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.46640566942723 (6.21344e-08% change)
linmin: converged after 2 iterations.
iteration 46: trace = 6.466405667382235 (3.16249e-08% change)
linmin: converged after 2 iterations.
iteration 47: trace = 6.466405666183872 (1.85321e-08% change)
linmin: converged after 2 iterations.
iteration 48: trace = 6.466405665511933 (1.03912e-08% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.466405664657936 (1.32067e-08% change)
large trace change predicted (3.62453e-08%)
linmin: converged after 19 iterations.
iteration 50: trace = 6.46640566231416 (3.62454e-08% change)
large trace change predicted (1.23507e-07%)
linmin: converged after 2 iterations.
iteration 51: trace = 6.466405654327716 (1.23507e-07% change)
large trace change predicted (2.49094e-07%)
linmin: converged after 2 iterations.
iteration 52: trace = 6.466405638220102 (2.49097e-07% change)
linmin: converged after 15 iterations.
iteration 53: trace = 6.46640561690482 (3.29631e-07% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.466405589348653 (4.26143e-07% change)
linmin: converged after 17 iterations.
iteration 55: trace = 6.466405565244271 (3.72763e-07% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.466405553442849 (1.82504e-07% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.466405548893452 (7.03543e-08% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.466405546942659 (3.01681e-08% change)
linmin: converged after 2 iterations.
iteration 59: trace = 6.466405546067048 (1.35409e-08% change)
linmin: converged after 8 iterations.
iteration 60: trace = 6.466405545765806 (4.65856e-09% change)
linmin: converged after 5 iterations.
iteration 61: trace = 6.466405545618406 (2.27948e-09% change)
linmin: converged after 2 iterations.
iteration 62: trace = 6.466405545535219 (1.28645e-09% change)
linmin: converged after 6 iterations.
iteration 63: trace = 6.466405545465581 (1.07691e-09% change)
linmin: converged after 3 iterations.
iteration 64: trace = 6.466405545408771 (8.78549e-10% change)
linmin: converged after 6 iterations.
iteration 65: trace = 6.466405545374389 (5.31692e-10% change)
linmin: converged after 3 iterations.
iteration 66: trace = 6.46640554535702 (2.68607e-10% change)
linmin: converged after 3 iterations.
iteration 67: trace = 6.466405545351025 (9.27131e-11% change)
Finished solving for bands 2 to 8 after 67 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334
.elapsed time for k point: 0.18237018585205078
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.8161730293674935 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 0.8385562359606974 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.922084942589803 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418322 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.159370227370717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 8 range: 1.1636719050364357 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0>
Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284%
Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693%
Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786%
total elapsed time for run: 2.260265350341797
done
/tmp/meepg15Lzl/test_honey_rods-0: 3.42s
/tmp/meepg15Lzl/test_line_defect-0
========================
Initializing eigensolver data
Computing 12 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 224 x 1.
Solving for 6 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(6.06218, -3.5, 0)
(0, 0, 1)
Cell volume = 6.06218
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.0824786, -0.142857, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,3,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-3,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
6 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.10000000000000005, 0.3500000000000001, 0.0>
Vector3<0.2000000000000001, 0.7000000000000002, 0.0>
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: 0.012317180633544922
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...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 1.196766755531371 (199.611% change)
linmin: converged after 9 iterations.
iteration 2: trace = 0.3074317174581362 (118.247% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.2844524853025028 (7.76477% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2812371807197147 (1.13677% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2805321379624338 (0.251008% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2804620372438204 (0.0249916% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2804497808436873 (0.00437017% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2804487080528694 (0.000382526% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2804485287729162 (6.39261e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2804485117540451 (6.06845e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2804485091314656 (9.35138e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.2804485089210546 (7.50266e-08% change)
linmin: converged after 8 iterations.
iteration 13: trace = 0.2804485089016316 (6.92566e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.2804485088974183 (1.50234e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.280448508897056 (1.29213e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2804485088969927 (2.25648e-11% change)
Finished solving for bands 2 to 7 after 16 iterations.
Solving for bands 8 to 12...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 5.347589494002308 (197.909% change)
linmin: converged after 8 iterations.
iteration 2: trace = 1.508143754927554 (112.007% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.308852038496591 (14.1492% change)
linmin: converged after 6 iterations.
iteration 4: trace = 1.247987481329314 (4.76092% change)
linmin: converged after 6 iterations.
iteration 5: trace = 1.226166609693982 (1.76391% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.220205207652076 (0.487367% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.218622738880585 (0.129773% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.217964901842141 (0.0539966% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.217640474833321 (0.0266404% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.217144671073517 (0.0407267% change)
large trace change predicted (0.10801%)
linmin: converged after 6 iterations.
iteration 11: trace = 1.215926777209398 (0.100112% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.21494306055586 (0.0809354% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.214347551188201 (0.0490274% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.213914363082433 (0.0356789% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.213500547607448 (0.0340952% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.212959722484555 (0.0445773% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.212519538880448 (0.0362966% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.212248726511907 (0.0223372% change)
linmin: converged after 3 iterations.
iteration 19: trace = 1.212140684769636 (0.0089129% change)
linmin: converged after 3 iterations.
iteration 20: trace = 1.21209965011612 (0.00338536% change)
linmin: converged after 3 iterations.
iteration 21: trace = 1.212045003915321 (0.00450849% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.211966020314501 (0.00651677% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.211907378935235 (0.00483865% change)
linmin: converged after 3 iterations.
iteration 24: trace = 1.211861221840146 (0.0038087% change)
linmin: converged after 3 iterations.
iteration 25: trace = 1.211829202049092 (0.00264223% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.21180954111795 (0.00162243% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.211778805378119 (0.00253638% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.211738643161125 (0.00331437% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.211698946648681 (0.00327605% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.211675291898183 (0.00195222% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.211662280999265 (0.0010738% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.211643382935975 (0.00155969% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.21162659993771 (0.00138515% change)
linmin: converged after 6 iterations.
iteration 34: trace = 1.21161407808561 (0.00103348% change)
linmin: converged after 9 iterations.
iteration 35: trace = 1.211602453572232 (0.000959428% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.211598303616196 (0.000342519% change)
linmin: converged after 3 iterations.
iteration 37: trace = 1.211596448980703 (0.000153074% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.211594613228861 (0.000151515% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.211592534410096 (0.000171577% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.211590947234652 (0.000130999% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.211590215638785 (6.03831e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.211589891729974 (2.67342e-05% change)
linmin: converged after 3 iterations.
iteration 43: trace = 1.211589741312141 (1.24149e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 1.211589683153448 (4.8002e-06% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.211589639031559 (3.64165e-06% change)
linmin: converged after 4 iterations.
iteration 46: trace = 1.211589594611466 (3.66627e-06% change)
linmin: converged after 2 iterations.
iteration 47: trace = 1.211589568398538 (2.16352e-06% change)
linmin: converged after 2 iterations.
iteration 48: trace = 1.211589556366786 (9.93055e-07% change)
linmin: converged after 3 iterations.
iteration 49: trace = 1.211589549124783 (5.97727e-07% change)
linmin: converged after 2 iterations.
iteration 50: trace = 1.211589544167536 (4.09152e-07% change)
linmin: converged after 2 iterations.
iteration 51: trace = 1.211589539501808 (3.85091e-07% change)
linmin: converged after 2 iterations.
iteration 52: trace = 1.211589533344353 (5.08213e-07% change)
linmin: converged after 2 iterations.
iteration 53: trace = 1.2115895245724 (7.24004e-07% change)
linmin: converged after 2 iterations.
iteration 54: trace = 1.211589518683372 (4.86058e-07% change)
linmin: converged after 2 iterations.
iteration 55: trace = 1.211589515923037 (2.27828e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 1.211589512935396 (2.46589e-07% change)
linmin: converged after 3 iterations.
iteration 57: trace = 1.211589509905531 (2.50074e-07% change)
linmin: converged after 4 iterations.
iteration 58: trace = 1.211589507242201 (2.19821e-07% change)
linmin: converged after 2 iterations.
iteration 59: trace = 1.211589504813927 (2.00421e-07% change)
linmin: converged after 4 iterations.
iteration 60: trace = 1.211589503458421 (1.11878e-07% change)
linmin: converged after 4 iterations.
iteration 61: trace = 1.211589502828578 (5.19848e-08% change)
linmin: converged after 24 iterations.
iteration 62: trace = 1.211589502438186 (3.22214e-08% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.211589502003778 (3.58544e-08% change)
linmin: converged after 4 iterations.
iteration 64: trace = 1.211589501370286 (5.2286e-08% change)
linmin: converged after 3 iterations.
iteration 65: trace = 1.211589501031969 (2.79234e-08% change)
linmin: converged after 2 iterations.
iteration 66: trace = 1.211589500878294 (1.26838e-08% change)
linmin: converged after 18 iterations.
iteration 67: trace = 1.211589500792745 (7.06086e-09% change)
linmin: converged after 2 iterations.
iteration 68: trace = 1.211589500767784 (2.06018e-09% change)
linmin: converged after 3 iterations.
iteration 69: trace = 1.211589500755964 (9.75586e-10% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 1.211589500751477 (3.7031e-10% change)
linmin: converged after 3 iterations.
iteration 71: trace = 1.211589500746379 (4.20745e-10% change)
linmin: converged after 3 iterations.
iteration 72: trace = 1.21158950073995 (5.3065e-10% change)
linmin: converged after 4 iterations.
iteration 73: trace = 1.211589500735595 (3.59424e-10% change)
linmin: converged after 15 iterations.
iteration 74: trace = 1.211589500732076 (2.90515e-10% change)
linmin: converged after 3 iterations.
iteration 75: trace = 1.211589500730084 (1.64409e-10% change)
linmin: converged after 11 iterations.
iteration 76: trace = 1.211589500729295 (6.50599e-11% change)
Finished solving for bands 8 to 12 after 76 iterations.
Finished k-point with 39.6667 mean iterations/band.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123
elapsed time for k point: 2.0528016090393066
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
Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619
Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526
Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015
Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849
Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082
Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748
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/meepg15Lzl/test_line_defect-0-e.k01.b01.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b02.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b03.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b04.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b05.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b06.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b07.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b08.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b09.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b10.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b11.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/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.
iteration 1: trace = 0.1859754481091571 (4.37841% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1858559071650498 (0.0642985% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1858523719592242 (0.00190214% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1858522794619532 (4.97692e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1858522774470825 (1.08412e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1858522773945271 (2.8278e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1858522773930405 (7.99891e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1858522773929406 (5.37482e-11% change)
Finished solving for bands 1 to 6 after 8 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.339583206387591 (1.2622% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.33063762646289 (0.670025% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.326359143522661 (0.322054% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.324059417054412 (0.173537% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.322335659994526 (0.130272% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.321900842351137 (0.032888% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.321789582191756 (0.00841703% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.321750554891683 (0.00295265% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.321739521847602 (0.000834733% change)
linmin: converged after 7 iterations.
iteration 10: trace = 1.321725729409737 (0.00104351% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.321717827626583 (0.00059784% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.32171560796717 (0.000167938% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.321714313062121 (9.79716e-05% change)
linmin: converged after 6 iterations.
iteration 14: trace = 1.321713670509397 (4.86151e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.32171316783871 (3.80317e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.321712690347692 (3.61267e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.321712534925773 (1.17591e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.32171245068789 (6.37339e-06% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.321712392022149 (4.43862e-06% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.321712300288242 (6.94053e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.321712123338643 (1.33879e-05% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.321712019292177 (7.8721e-06% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.321711840507829 (1.35267e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.321711646564235 (1.46737e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.321711536307098 (8.342e-06% change)
linmin: converged after 15 iterations.
iteration 26: trace = 1.32171148827869 (3.6338e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.321711471300697 (1.28455e-06% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.321711467138154 (3.14936e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.321711466116505 (7.72975e-08% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.321711465723412 (2.97412e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.321711465580959 (1.07779e-08% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.321711465510915 (5.29947e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.321711465480889 (2.27175e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.321711465470897 (7.55973e-10% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.321711465466495 (3.33089e-10% change)
linmin: converged after 8 iterations.
iteration 36: trace = 1.32171146546497 (1.15398e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.321711465463821 (8.68885e-11% change)
Finished solving for bands 7 to 12 after 37 iterations.
Finished k-point with 22.5 mean iterations/band.
tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413
elapsed time for k point: 1.4191670417785645
Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221
Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961
Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513
Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959
Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942
Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983
Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105
Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113
Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118
Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134
Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018
Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b01.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b02.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b03.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b04.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b05.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b06.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b07.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b08.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b09.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b10.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b11.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/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.
iteration 1: trace = 0.2388580307782937 (6.66113% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2385221713841857 (0.140709% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2385114100977178 (0.00451175% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.2385111473622856 (0.000110156% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2385111400807255 (3.05292e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2385111399219119 (6.65854e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2385111399179209 (1.6733e-09% change)
linmin: converged after 16 iterations.
iteration 8: trace = 0.2385111399178055 (4.83867e-11% change)
Finished solving for bands 1 to 6 after 8 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.328636670014931 (1.75254% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.320923404607837 (0.58223% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.318308076151315 (0.198189% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.317956425802998 (0.0266779% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.317882727769513 (0.005592% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.317830321381881 (0.00397664% change)
linmin: converged after 21 iterations.
iteration 7: trace = 1.317816402663161 (0.00105619% change)
linmin: converged after 6 iterations.
iteration 8: trace = 1.317806033886662 (0.000786818% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.317799113944952 (0.000525112% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.317797254181904 (0.000141127% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.317796412532883 (6.38679e-05% change)
linmin: converged after 11 iterations.
iteration 12: trace = 1.317796108435783 (2.30762e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.317796055321211 (4.03056e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.317796024477034 (2.34059e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.317796013257453 (8.5139e-07% change)
linmin: converged after 23 iterations.
iteration 16: trace = 1.317796004201295 (6.8722e-07% change)
large trace change predicted (1.71406e-06%)
linmin: converged after 3 iterations.
iteration 17: trace = 1.317795981613608 (1.71405e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.317795944624388 (2.8069e-06% change)
large trace change predicted (6.37234e-06%)
linmin: converged after 8 iterations.
iteration 19: trace = 1.317795860651614 (6.37221e-06% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.317795777380738 (6.31895e-06% change)
linmin: converged after 32 iterations.
iteration 21: trace = 1.317795748000609 (2.22949e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.317795733123444 (1.12894e-06% change)
linmin: converged after 6 iterations.
iteration 23: trace = 1.317795727441454 (4.31174e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.317795724798878 (2.0053e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.317795723846541 (7.22674e-08% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.317795723608524 (1.80617e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.317795723503125 (7.99815e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.31779572343886 (4.87671e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.317795723419225 (1.48995e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.317795723411641 (5.75501e-10% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.317795723409147 (1.89273e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.317795723408442 (5.35315e-11% change)
Finished solving for bands 7 to 12 after 32 iterations.
Finished k-point with 20 mean iterations/band.
tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423
elapsed time for k point: 1.2652592658996582
Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626
Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063
Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761
Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925
Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327
Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091
Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529
Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898
Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242
Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743
Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615
Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b01.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b02.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b03.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b04.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b05.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b06.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b07.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b08.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b09.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b10.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b11.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/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.
iteration 1: trace = 0.3105199359398265 (8.73919% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3098465068863809 (0.217107% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.3098220243218767 (0.00790183% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3098213546274155 (0.000216155% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3098213374848054 (5.53306e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3098213371379585 (1.11951e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3098213371286766 (2.99587e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.3098213371284358 (7.77246e-11% change)
Finished solving for bands 1 to 6 after 8 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.321059189060651 (2.52198% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.312228993706477 (0.670659% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.308669436105089 (0.271629% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.307528168194402 (0.0872463% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.307108376361817 (0.0321109% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.306967612816993 (0.0107697% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.30692104687625 (0.00356296% change)
linmin: converged after 8 iterations.
iteration 8: trace = 1.306903167954464 (0.00136803% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.306896582410012 (0.000503906% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.306894468922138 (0.000161718% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.306893729338946 (5.65909e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.306893106680217 (4.76442e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.306892656103195 (3.4477e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.306892370720252 (2.18368e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.306892063537916 (2.35048e-05% change)
linmin: converged after 9 iterations.
iteration 16: trace = 1.306891774918915 (2.20844e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 1.306891306571564 (3.58367e-05% change)
large trace change predicted (0.0001439%)
linmin: converged after 4 iterations.
iteration 18: trace = 1.306889428974656 (0.000143669% change)
large trace change predicted (0.000647089%)
linmin: converged after 6 iterations.
iteration 19: trace = 1.306881342171474 (0.000618784% change)
near maximum in trace
linmin: converged after 11 iterations.
iteration 20: trace = 1.306841864904205 (0.00302077% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.306814317233515 (0.00210798% change)
linmin: converged after 6 iterations.
iteration 22: trace = 1.306780215571889 (0.00260956% change)
linmin: converged after 9 iterations.
iteration 23: trace = 1.306736702748669 (0.00332983% change)
linmin: converged after 7 iterations.
iteration 24: trace = 1.306707761476099 (0.0022148% change)
linmin: converged after 6 iterations.
iteration 25: trace = 1.306694949828091 (0.000980457% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.30668757171687 (0.000564641% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.306683169654682 (0.000336888% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.306680460975612 (0.000207294% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.306678613935068 (0.000141354% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.306677292065234 (0.000101163% change)
linmin: converged after 6 iterations.
iteration 31: trace = 1.306676263755384 (7.86966e-05% change)
linmin: converged after 5 iterations.
iteration 32: trace = 1.306675403278145 (6.58524e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.306674672970374 (5.58905e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.306674108884319 (4.31696e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.306673737709854 (2.84061e-05% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.306673513940721 (1.71251e-05% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.306673362527367 (1.15877e-05% change)
linmin: converged after 9 iterations.
iteration 38: trace = 1.306673228425955 (1.02628e-05% change)
linmin: converged after 5 iterations.
iteration 39: trace = 1.306673109717042 (9.08482e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 1.306673026782846 (6.34697e-06% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.306672971288233 (4.24702e-06% change)
linmin: converged after 6 iterations.
iteration 42: trace = 1.306672931203616 (3.06769e-06% change)
linmin: converged after 9 iterations.
iteration 43: trace = 1.306672900421495 (2.35576e-06% change)
linmin: converged after 3 iterations.
iteration 44: trace = 1.306672873955922 (2.02542e-06% change)
linmin: converged after 8 iterations.
iteration 45: trace = 1.306672849955027 (1.83679e-06% change)
linmin: converged after 2 iterations.
iteration 46: trace = 1.306672828035896 (1.67748e-06% change)
linmin: converged after 21 iterations.
iteration 47: trace = 1.306672808497717 (1.49526e-06% change)
linmin: converged after 9 iterations.
iteration 48: trace = 1.306672792920187 (1.19215e-06% change)
linmin: converged after 2 iterations.
iteration 49: trace = 1.30667278073184 (9.32777e-07% change)
linmin: converged after 2 iterations.
iteration 50: trace = 1.306672769623505 (8.50124e-07% change)
linmin: converged after 5 iterations.
iteration 51: trace = 1.30667275827252 (8.68694e-07% change)
linmin: converged after 8 iterations.
iteration 52: trace = 1.306672746664947 (8.88331e-07% change)
linmin: converged after 7 iterations.
iteration 53: trace = 1.306672734231314 (9.51549e-07% change)
linmin: converged after 6 iterations.
iteration 54: trace = 1.306672719747275 (1.10847e-06% change)
linmin: converged after 8 iterations.
iteration 55: trace = 1.306672703451232 (1.24714e-06% change)
linmin: converged after 2 iterations.
iteration 56: trace = 1.306672685743829 (1.35515e-06% change)
linmin: converged after 5 iterations.
iteration 57: trace = 1.306672664172661 (1.65085e-06% change)
linmin: converged after 4 iterations.
iteration 58: trace = 1.306672633622723 (2.33799e-06% change)
linmin: converged after 13 iterations.
iteration 59: trace = 1.306672591449286 (3.22754e-06% change)
linmin: converged after 15 iterations.
iteration 60: trace = 1.306672545946202 (3.48236e-06% change)
linmin: converged after 6 iterations.
iteration 61: trace = 1.306672503494355 (3.24885e-06% change)
linmin: converged after 4 iterations.
iteration 62: trace = 1.306672460331878 (3.30324e-06% change)
linmin: converged after 3 iterations.
iteration 63: trace = 1.306672416045949 (3.38921e-06% change)
linmin: converged after 4 iterations.
iteration 64: trace = 1.306672371448651 (3.41304e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 1.306672322019688 (3.78281e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 1.306672266767598 (4.22846e-06% change)
linmin: converged after 3 iterations.
iteration 67: trace = 1.306672213731368 (4.05888e-06% change)
linmin: converged after 9 iterations.
iteration 68: trace = 1.306672169731838 (3.3673e-06% change)
linmin: converged after 5 iterations.
iteration 69: trace = 1.306672130569276 (2.99712e-06% change)
resetting CG direction...
large trace change predicted (6.25477e-06%)
linmin: converged after 5 iterations.
iteration 70: trace = 1.306672048840626 (6.25472e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 1.306672012693929 (2.76632e-06% change)
linmin: converged after 2 iterations.
iteration 72: trace = 1.306672000098197 (9.63955e-07% change)
linmin: converged after 2 iterations.
iteration 73: trace = 1.306671995811054 (3.28096e-07% change)
linmin: converged after 2 iterations.
iteration 74: trace = 1.306671993004206 (2.14809e-07% change)
linmin: converged after 2 iterations.
iteration 75: trace = 1.306671990402459 (1.99112e-07% change)
linmin: converged after 2 iterations.
iteration 76: trace = 1.306671989145292 (9.62114e-08% change)
linmin: converged after 3 iterations.
iteration 77: trace = 1.306671988469853 (5.16916e-08% change)
linmin: converged after 2 iterations.
iteration 78: trace = 1.306671987976323 (3.777e-08% change)
linmin: converged after 3 iterations.
iteration 79: trace = 1.306671987242599 (5.61521e-08% change)
large trace change predicted (1.12943e-07%)
linmin: converged after 3 iterations.
iteration 80: trace = 1.306671985766801 (1.12943e-07% change)
large trace change predicted (2.49995e-07%)
linmin: converged after 3 iterations.
iteration 81: trace = 1.306671982500196 (2.49994e-07% change)
large trace change predicted (5.4192e-07%)
linmin: converged after 13 iterations.
iteration 82: trace = 1.306671975419139 (5.41915e-07% change)
linmin: converged after 3 iterations.
iteration 83: trace = 1.306671966776745 (6.61405e-07% change)
linmin: converged after 24 iterations.
iteration 84: trace = 1.306671961713351 (3.87503e-07% change)
linmin: converged after 8 iterations.
iteration 85: trace = 1.306671959299024 (1.84769e-07% change)
linmin: converged after 3 iterations.
iteration 86: trace = 1.306671956817022 (1.89948e-07% change)
linmin: converged after 2 iterations.
iteration 87: trace = 1.30667195512776 (1.2928e-07% change)
linmin: converged after 4 iterations.
iteration 88: trace = 1.306671954377645 (5.74065e-08% change)
linmin: converged after 11 iterations.
iteration 89: trace = 1.306671954035937 (2.6151e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 1.306671953899616 (1.04327e-08% change)
linmin: converged after 2 iterations.
iteration 91: trace = 1.306671953836784 (4.80857e-09% change)
linmin: converged after 2 iterations.
iteration 92: trace = 1.306671953798474 (2.93184e-09% change)
linmin: converged after 2 iterations.
iteration 93: trace = 1.306671953790935 (5.76951e-10% change)
linmin: converged after 3 iterations.
iteration 94: trace = 1.306671953788971 (1.50355e-10% change)
linmin: converged after 3 iterations.
iteration 95: trace = 1.306671953788115 (6.55086e-11% change)
Finished solving for bands 7 to 12 after 95 iterations.
Finished k-point with 51.5 mean iterations/band.
tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567
elapsed time for k point: 3.3021631240844727
Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092
Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764
Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136
Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788
Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332
Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878
Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831
Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802
Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105
Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552
Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494
Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b01.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b02.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b03.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b04.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b05.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b06.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b07.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b08.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b09.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b10.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b11.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b12.z.tm.h5...
solve_kpoint (0.4,1.4,0):
Solving for bands 1 to 6...
linmin: converged after 6 iterations.
iteration 1: trace = 0.3762985016867429 (10.9545% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3750342117371676 (0.336546% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3749816076769493 (0.0140275% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3749802749522109 (0.000355411% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3749802409984997 (9.0548e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3749802404009222 (1.59362e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.374980240382886 (4.8099e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3749802403822894 (1.59096e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.3749802403822776 (3.1532e-12% change)
Finished solving for bands 1 to 6 after 9 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.298011037461321 (3.05087% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.290256309342349 (0.599222% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.288297984129212 (0.151893% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.2878772301764 (0.032665% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.287688339079885 (0.0146679% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.287483849723766 (0.0158816% change)
large trace change predicted (0.0565887%)
linmin: converged after 7 iterations.
iteration 7: trace = 1.28685287243285 (0.0490206% change)
large trace change predicted (1.10957%)
linmin: converged after 8 iterations.
iteration 8: trace = 1.285207985881854 (0.127904% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.283531768705405 (0.130509% change)
linmin: converged after 9 iterations.
iteration 10: trace = 1.280537500864398 (0.233556% change)
linmin: converged after 8 iterations.
iteration 11: trace = 1.277572726481115 (0.231794% change)
linmin: converged after 7 iterations.
iteration 12: trace = 1.27563734746484 (0.151604% change)
linmin: converged after 7 iterations.
iteration 13: trace = 1.274202245367086 (0.112564% change)
linmin: converged after 7 iterations.
iteration 14: trace = 1.273022593346836 (0.0926225% change)
linmin: converged after 8 iterations.
iteration 15: trace = 1.272080215540049 (0.0740542% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.271347536034896 (0.0576135% change)
linmin: converged after 7 iterations.
iteration 17: trace = 1.270883530901358 (0.0365038% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.270618409224059 (0.0208634% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.270378371119911 (0.0188932% change)
linmin: converged after 6 iterations.
iteration 20: trace = 1.270104933606682 (0.0215264% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.269895617099838 (0.0164816% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.269782882629827 (0.00887785% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.269719750601914 (0.004972% change)
linmin: converged after 6 iterations.
iteration 24: trace = 1.269676766106199 (0.00338541% change)
linmin: converged after 7 iterations.
iteration 25: trace = 1.269642283512467 (0.00271589% change)
linmin: converged after 5 iterations.
iteration 26: trace = 1.269619087274533 (0.00182701% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.269607472587991 (0.000914821% change)
linmin: converged after 8 iterations.
iteration 28: trace = 1.269600759456913 (0.000528758% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.269595125006646 (0.000443798% change)
linmin: converged after 9 iterations.
iteration 30: trace = 1.269590376565027 (0.000374013% change)
linmin: converged after 5 iterations.
iteration 31: trace = 1.269587297957729 (0.000242489% change)
linmin: converged after 6 iterations.
iteration 32: trace = 1.269585545816303 (0.000138009% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.269584427090121 (8.81175e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.269583608532466 (6.44745e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 1.269583043842748 (4.44784e-05% change)
linmin: converged after 5 iterations.
iteration 36: trace = 1.269582710117841 (2.62862e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 1.269582517553401 (1.51675e-05% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.269582385116398 (1.04315e-05% change)
linmin: converged after 11 iterations.
iteration 39: trace = 1.269582283098437 (8.03555e-06% change)
linmin: converged after 6 iterations.
iteration 40: trace = 1.269582214888568 (5.37262e-06% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.269582174660363 (3.16862e-06% change)
linmin: converged after 12 iterations.
iteration 42: trace = 1.269582148208323 (2.08352e-06% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.269582127622132 (1.62149e-06% change)
linmin: converged after 2 iterations.
iteration 44: trace = 1.269582111947448 (1.23463e-06% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.269582102245771 (7.64163e-07% change)
linmin: converged after 4 iterations.
iteration 46: trace = 1.26958209678698 (4.29968e-07% change)
linmin: converged after 4 iterations.
iteration 47: trace = 1.269582093349534 (2.70754e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.269582091147356 (1.73457e-07% change)
linmin: converged after 20 iterations.
iteration 49: trace = 1.269582089806961 (1.05578e-07% change)
linmin: converged after 2 iterations.
iteration 50: trace = 1.269582088919776 (6.98801e-08% change)
linmin: converged after 6 iterations.
iteration 51: trace = 1.269582088275121 (5.07769e-08% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.269582087760951 (4.04992e-08% change)
linmin: converged after 12 iterations.
iteration 53: trace = 1.269582087362723 (3.13669e-08% change)
linmin: converged after 6 iterations.
iteration 54: trace = 1.269582087136648 (1.78071e-08% change)
linmin: converged after 2 iterations.
iteration 55: trace = 1.269582087016091 (9.49576e-09% change)
linmin: converged after 9 iterations.
iteration 56: trace = 1.269582086921614 (7.44162e-09% change)
linmin: converged after 9 iterations.
iteration 57: trace = 1.269582086848892 (5.72801e-09% change)
linmin: converged after 3 iterations.
iteration 58: trace = 1.269582086810662 (3.01122e-09% change)
linmin: converged after 6 iterations.
iteration 59: trace = 1.269582086792638 (1.4197e-09% change)
linmin: converged after 3 iterations.
iteration 60: trace = 1.269582086781325 (8.91094e-10% change)
linmin: converged after 3 iterations.
iteration 61: trace = 1.269582086771858 (7.45616e-10% change)
linmin: converged after 3 iterations.
iteration 62: trace = 1.269582086763084 (6.91153e-10% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.269582086756867 (4.89638e-10% change)
linmin: converged after 3 iterations.
iteration 64: trace = 1.269582086753405 (2.72733e-10% change)
linmin: converged after 3 iterations.
iteration 65: trace = 1.269582086751192 (1.74266e-10% change)
linmin: converged after 9 iterations.
iteration 66: trace = 1.269582086749747 (1.13857e-10% change)
linmin: converged after 4 iterations.
iteration 67: trace = 1.269582086748959 (6.2053e-11% change)
Finished solving for bands 7 to 12 after 67 iterations.
Finished k-point with 38 mean iterations/band.
tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447
elapsed time for k point: 2.4054956436157227
Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996
Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101
Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954
Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974
Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749
Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913
Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734
Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166
Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823
Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507
Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405
Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b01.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b02.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b03.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b04.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b05.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b06.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b07.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b08.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b09.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b10.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b11.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/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.
iteration 1: trace = 0.4044979732169223 (13.7656% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.4025034611955529 (0.494302% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.4024212890120757 (0.0204174% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.4024194033576305 (0.000468578% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.4024193544035438 (1.21649e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.4024193537759778 (1.55948e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.4024193537536845 (5.5398e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.4024193537529454 (1.83672e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.4024193537529305 (3.71068e-12% change)
Finished solving for bands 1 to 6 after 9 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.246579896079849 (3.2355% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.241420423793717 (0.414749% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.240323895101215 (0.0883676% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.240074667273184 (0.0200958% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.24004995523007 (0.00199281% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.240046276550807 (0.000296656% change)
linmin: converged after 13 iterations.
iteration 7: trace = 1.240045445498693 (6.70179e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 1.240045287286182 (1.27586e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 1.240045263300231 (1.93428e-06% change)
linmin: converged after 29 iterations.
iteration 10: trace = 1.240045258080157 (4.20958e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 1.240045257186147 (7.2095e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 1.240045257084782 (8.17431e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 1.2400452570647 (1.61945e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 1.240045257061235 (2.7939e-10% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.24004525706096 (2.21857e-11% change)
Finished solving for bands 7 to 12 after 15 iterations.
Finished k-point with 12 mean iterations/band.
tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569
elapsed time for k point: 0.7626831531524658
Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882
Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091
Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198
Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227
Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309
Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607
Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013
Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917
Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553
Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551
Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635
Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525
..Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b01.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b02.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b03.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b04.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b05.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b06.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b07.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b08.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b09.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b10.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b11.z.tm.h5...
Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b12.z.tm.h5...
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0>
Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0>
Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0>
Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0>
Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0>
Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225%
Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016%
total elapsed time for run: 11.437739610671997
done
/tmp/meepg15Lzl/test_line_defect-0: 11.44s
/tmp/meepg15Lzl/test_list_split-0
========================
/tmp/meepg15Lzl/test_list_split-0: 0.00s
/tmp/meepg15Lzl/test_load_and_save_eigenvectors-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013856887817382812
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14065265655517578
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.3923628330230713
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08683919906616211
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07980084419250488
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09235835075378418
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.1441807746887207
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.1088719367980957
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.0926363468170166
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07986903190612793
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.0764014720916748
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07639193534851074
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06033658981323242
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07007217407226562
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09575557708740234
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11216115951538086
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.24978423118591309
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.961000680923462
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0014221668243408203
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14058327674865723
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39330315589904785
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08653664588928223
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07963371276855469
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09208369255065918
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14339280128479004
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10879659652709961
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09244751930236816
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07950067520141602
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.0761559009552002
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07592988014221191
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06034374237060547
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.06994247436523438
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09554719924926758
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11162018775939941
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 0.24889135360717773
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9573099613189697
done
/tmp/meepg15Lzl/test_load_and_save_eigenvectors-0: 3.92s
/tmp/meepg15Lzl/test_maximize_first_tm_gap-0
========================
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 2 bands at a time.
Creating Maxwell data...
Mesh size is 7.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.252786, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0009162425994873047
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...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 0.4898474331528383 (198.799% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.2634327276606197 (60.1143% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2256354401058421 (15.4569% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2118795772470987 (6.28818% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2093240519911654 (1.21344% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2091127254372625 (0.101008% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2090852588528238 (0.0131357% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2090837640052219 (0.000714949% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2090835745606499 (9.06071e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.209083529405388 (2.15968e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.2090835264202496 (1.42773e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.2090835262060447 (1.02449e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.2090835261751921 (1.47561e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.2090835261708315 (2.08559e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.2090835261706046 (1.08522e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2090835261705098 (4.53204e-11% change)
Finished solving for bands 2 to 2 after 16 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257
elapsed time for k point: 0.004288434982299805
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 10 iterations.
iteration 1: trace = 0.2098651202886062 (4.6103% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2077435553715469 (1.01605% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2065876445984869 (0.557965% change)
large trace change predicted (1.26308%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2036945327837802 (1.4103% change)
linmin: converged after 7 iterations.
iteration 5: trace = 0.2020820274046518 (0.794775% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2017151357863381 (0.181721% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2016398542630094 (0.0373277% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2015598361330475 (0.0396916% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2014449638068836 (0.0570079% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.2014122707810966 (0.0162306% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.2014087537596145 (0.0017462% change)
linmin: converged after 15 iterations.
iteration 12: trace = 0.2014078549180843 (0.000446278% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.2014061973776658 (0.00082298% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.2014048838687256 (0.000652171% change)
linmin: converged after 6 iterations.
iteration 15: trace = 0.2014047218138699 (8.04623e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2014047010268015 (1.0321e-05% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.2014046853812204 (7.76823e-06% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.201404660765346 (1.22221e-05% change)
linmin: converged after 11 iterations.
iteration 19: trace = 0.2014046519845329 (4.35979e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.2014046509574838 (5.09943e-07% change)
linmin: converged after 7 iterations.
iteration 21: trace = 0.2014046507829159 (8.66752e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.2014046504702771 (1.55229e-07% change)
linmin: converged after 21 iterations.
iteration 23: trace = 0.201404650217115 (1.25698e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.2014046501748755 (2.09725e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.2014046501695867 (2.62594e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.2014046501671034 (1.23299e-09% change)
large trace change predicted (2.54495e-09%)
linmin: converged after 11 iterations.
iteration 27: trace = 0.2014046501619765 (2.54556e-09% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.201404650160167 (8.98439e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.2014046501599492 (1.08167e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.201404650159914 (1.74605e-11% change)
Finished solving for bands 1 to 2 after 30 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338
elapsed time for k point: 0.01839613914489746
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1886993853589348 (5.81613% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1879329654030555 (0.406986% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1879019987162396 (0.0164789% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1879007700599346 (0.000653884% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1879007324411779 (2.00205e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.187900730110987 (1.24012e-06% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1879007300208395 (4.79761e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1879007300173998 (1.83059e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.1879007300173185 (4.32802e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196
elapsed time for k point: 0.005757808685302734
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.177090620447409 (5.09773% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1768676334153295 (0.125996% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1768576072264843 (0.00566891% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1768571937062109 (0.000233816% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.1768571846110659 (5.14265e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.17685718426356 (1.9649e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1768571842571168 (3.64315e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.176857184256887 (1.29897e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.1768571842568802 (3.84498e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009
elapsed time for k point: 0.005828380584716797
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1703028333697424 (5.07332% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1701701834280546 (0.077921% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1701632888796343 (0.00405164% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.1701630475985811 (0.000141794% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.170163043820658 (2.22018e-06% change)
linmin: converged after 26 iterations.
iteration 6: trace = 0.1701630436796942 (8.28404e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1701630436771921 (1.47042e-09% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.1701630436771221 (4.11041e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342
elapsed time for k point: 0.005234479904174805
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1680722256068113 (5.13139% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1679599575333087 (0.0668198% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1679544178043843 (0.0032983% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.1679542046758051 (0.000126897% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.1679542018800741 (1.66458e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.1679542017770075 (6.13659e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1679542017749324 (1.23554e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.167954201774869 (3.77281e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201
elapsed time for k point: 0.005274295806884766
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 3 iterations.
iteration 1: trace = 0.1727907851940615 (0.90973% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1727441194082773 (0.0270108% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.172742290671633 (0.00105864% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.1727422490693743 (2.40834e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1727422479861119 (6.27098e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1727422479682355 (1.03486e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1727422479677768 (2.65501e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1727422479677606 (9.39956e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057
elapsed time for k point: 0.005142688751220703
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1860989381524436 (1.56232% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1859976762889476 (0.0544277% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1859938669738662 (0.00204807% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1859937714047326 (5.1383e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1859937688937456 (1.35004e-06% change)
linmin: converged after 20 iterations.
iteration 6: trace = 0.1859937688390201 (2.94233e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1859937688378915 (6.06808e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1859937688378515 (2.15337e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912
elapsed time for k point: 0.005193948745727539
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.204398857278778 (2.75517% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2041523986067431 (0.12065% change)
linmin: converged after 2 iterations.
iteration 3: trace = 0.2041422878985797 (0.00495265% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2041420493962594 (0.000116831% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.204142041499828 (3.86811e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2041420413330259 (8.17088e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.204142041329127 (1.90987e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2041420413289723 (7.57989e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618
elapsed time for k point: 0.005351543426513672
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.2213300955570094 (4.3094% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2207839638738396 (0.247055% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2207589339831465 (0.0113375% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2207583808306992 (0.000250569% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2207583584069987 (1.01576e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.220758357912076 (2.24192e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2207583578975028 (6.60144e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2207583578967375 (3.46633e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2207583578967242 (6.03496e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104
elapsed time for k point: 0.005798816680908203
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2286358930851747 (5.87517% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2277546866636135 (0.386163% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2277132378226158 (0.0182006% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2277123246168996 (0.000401034% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2277122854063269 (1.72193e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2277122844171639 (4.34392e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2277122843860133 (1.36798e-08% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2277122843842668 (7.66961e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2277122843842428 (1.05556e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058
elapsed time for k point: 0.005737781524658203
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2240217978987306 (8.03377% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2227325966086012 (0.577141% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2221794028707296 (0.248676% change)
large trace change predicted (1.12179%)
linmin: converged after 6 iterations.
iteration 4: trace = 0.2201021533223285 (0.939334% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.2194887472932667 (0.27908% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2194646258573113 (0.0109904% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2194635570027366 (0.000487029% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2194633146452799 (0.000110432% change)
large trace change predicted (0.00027517%)
linmin: converged after 6 iterations.
iteration 9: trace = 0.2194627106479067 (0.000275216% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.2194625034252833 (9.44227e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2194624959688223 (3.3976e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.2194624957143563 (1.1595e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.2194624956685689 (2.08635e-08% change)
large trace change predicted (5.35737e-08%)
linmin: converged after 2 iterations.
iteration 14: trace = 0.2194624955509947 (5.35737e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.2194624955026465 (2.20302e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.2194624955005199 (9.69019e-10% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.2194624955004418 (3.56141e-11% change)
Finished solving for bands 1 to 2 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656
elapsed time for k point: 0.010411262512207031
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2048270491097952 (7.89384% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2042255888086185 (0.294075% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2042030572713608 (0.0110333% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2042021613101474 (0.000438761% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2042021401646438 (1.03552e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2042021396348914 (2.59426e-07% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.2042021396248773 (4.90403e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2042021396245604 (1.55196e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2042021396245495 (5.31455e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028
elapsed time for k point: 0.005733489990234375
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1961694955193463 (6.14128% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1959410036458176 (0.116545% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1959317156392236 (0.00474032% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1959313940592608 (0.000164129% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1959313856969012 (4.268e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1959313854375356 (1.32376e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.195931385431126 (3.27138e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1959313854307266 (2.03834e-10% change)
linmin: converged after 7 iterations.
iteration 9: trace = 0.1959313854307188 (4.00897e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611
elapsed time for k point: 0.005784273147583008
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
iteration 1: trace = 0.2014853855724111 (5.75945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2008264904582411 (0.327554% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2007788953842623 (0.0237024% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.200774994456563 (0.00194292% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2007748543968735 (6.97596e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2007748486133257 (2.88061e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2007748484344859 (8.90748e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2007748484304172 (2.02647e-09% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2007748484302034 (1.06516e-10% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2007748484301817 (1.08105e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244
elapsed time for k point: 0.006433725357055664
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.2122718724222841 (4.82659% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2094216112500319 (1.35182% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2091030511365138 (0.15223% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2090846371542949 (0.00880656% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2090836304333473 (0.000481491% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2090835247433784 (5.05491e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2090835130860209 (5.57545e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.20908351233741 (3.58044e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2090835122673797 (3.34939e-08% change)
linmin: converged after 12 iterations.
iteration 10: trace = 0.2090835122583799 (4.3044e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.209083512257221 (5.54292e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.2090835122571488 (3.45147e-11% change)
Finished solving for bands 2 to 2 after 12 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257
elapsed time for k point: 0.0031943321228027344
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825%
total elapsed time for run: 0.10515880584716797
done
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 2 bands at a time.
Creating Maxwell data...
Mesh size is 7.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.347214, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0012390613555908203
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...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 0.4343181010737095 (198.885% change)
linmin: converged after 12 iterations.
iteration 2: trace = 0.1466798479702049 (99.0152% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1367387884266781 (7.01511% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.1336076174223981 (2.31641% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.1327039030623742 (0.67869% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1326703124348133 (0.0253157% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1326539772352652 (0.0123134% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1326531685227361 (0.000609642% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1326529640371999 (0.000154151% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.1326529337762072 (2.28122e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.1326529311517259 (1.97846e-06% change)
linmin: converged after 18 iterations.
iteration 12: trace = 0.1326529297895758 (1.02685e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.1326529296923191 (7.33166e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.1326529296662335 (1.96646e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.1326529296624067 (2.8848e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.1326529296621591 (1.86637e-10% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.1326529296620271 (9.95329e-11% change)
Finished solving for bands 2 to 2 after 17 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215
elapsed time for k point: 0.004506111145019531
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 9 iterations.
iteration 1: trace = 0.1330276952346082 (5.99259% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1318813366874199 (0.865473% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1308680471843932 (0.771297% change)
large trace change predicted (1.92882%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.128304306929748 (1.97841% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.1276263878962662 (0.529768% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1275322440298945 (0.0737924% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.1275021778548772 (0.0235781% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.1274414865517367 (0.0476115% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.1274120300325395 (0.0231164% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.1274093849400094 (0.00207604% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.1274090082736754 (0.000295635% change)
linmin: converged after 13 iterations.
iteration 12: trace = 0.1274085198427984 (0.000383357% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.1274080628429791 (0.000358689% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.1274079792683117 (6.55961e-05% change)
linmin: converged after 6 iterations.
iteration 15: trace = 0.1274079726496398 (5.19486e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.1274079698067216 (2.23135e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.1274079642222976 (4.3831e-06% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.1274079624506347 (1.39054e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.1274079623179862 (1.04113e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 0.1274079622924786 (2.00204e-08% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.1274079622440727 (3.79928e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.1274079622155672 (2.23734e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.1274079622132353 (1.83032e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.1274079622129696 (2.08546e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.1274079622125829 (3.03528e-10% change)
linmin: converged after 20 iterations.
iteration 26: trace = 0.1274079622122151 (2.8867e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 0.1274079622121569 (4.56827e-11% change)
Finished solving for bands 1 to 2 after 27 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242
elapsed time for k point: 0.016869783401489258
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1175895698985854 (8.46358% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1169854373382419 (0.515087% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1169634629343659 (0.0187856% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1169624287919833 (0.000884162% change)
linmin: converged after 15 iterations.
iteration 5: trace = 0.1169623892439103 (3.38126e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.1169623870108744 (1.90919e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1169623869324882 (6.70183e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1169623869302093 (1.94843e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.1169623869301465 (5.37255e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853
elapsed time for k point: 0.005748271942138672
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1076617181330985 (7.39497% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1074867217773472 (0.162675% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1074797532363015 (0.00648337% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1074794560989978 (0.000276459% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1074794492025648 (6.41651e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.1074794489996317 (1.88811e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1074794489927401 (6.41204e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1074794489925578 (1.69638e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.1074794489925547 (2.87938e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301
elapsed time for k point: 0.005771160125732422
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1014137083501608 (7.0899% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.1013434149944228 (0.0693375% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1013402349806177 (0.00313791% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1013401302210901 (0.000103374% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1013401281880725 (2.00613e-06% change)
linmin: converged after 21 iterations.
iteration 6: trace = 0.1013401281491232 (3.84342e-08% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.1013401281478892 (1.21771e-09% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.1013401281478577 (3.10586e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456
elapsed time for k point: 0.005373716354370117
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.09929517146312491 (6.9708% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.09924752556066022 (0.0479956% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.09924547743477752 (0.00206368% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.09924540340840851 (7.45892e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.09924540237232149 (1.04396e-06% change)
linmin: converged after 27 iterations.
iteration 6: trace = 0.09924540235031715 (2.21716e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.0992454023496615 (6.60627e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.09924540234965068 (1.0907e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996
elapsed time for k point: 0.005290031433105469
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1023748756355368 (0.938618% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.10234483009841 (0.0293529% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1023441319883404 (0.000682118% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1023441118540878 (1.96731e-05% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.1023441112170787 (6.22419e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1023441112108164 (6.11888e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1023441112106436 (1.68821e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1023441112106414 (2.08823e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821
elapsed time for k point: 0.005157470703125
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1111648725369592 (1.70677% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1111022041294547 (0.0563902% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1111005428817409 (0.00149525% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1111004887965007 (4.86814e-05% change)
linmin: converged after 11 iterations.
iteration 5: trace = 0.1111004875283868 (1.14141e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1111004875048891 (2.115e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1111004875044872 (3.61795e-10% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1111004875044771 (9.06861e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239
elapsed time for k point: 0.0051822662353515625
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1238434803057007 (3.06251% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1236602488077916 (0.148064% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1236554311291923 (0.00389598% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1236552618867514 (0.000136866% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.1236552585512283 (2.69744e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1236552584722953 (6.38331e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1236552584710226 (1.02924e-09% change)
linmin: converged after 9 iterations.
iteration 8: trace = 0.1236552584709829 (3.20752e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223
elapsed time for k point: 0.005158662796020508
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.1365861283694175 (4.90629% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1360353991956018 (0.404025% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1360216616314292 (0.010099% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.1360211293759799 (0.000391303% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.136021117748354 (8.5484e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1360211172989073 (3.30424e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.136021117275474 (1.72277e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1360211172747932 (5.00461e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.1360211172747791 (1.03659e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912
elapsed time for k point: 0.005744218826293945
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1427907515851958 (7.20068% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1416129588617777 (0.828254% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1415842924679495 (0.0202448% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.1415827791943139 (0.00106882% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1415827277312479 (3.63484e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1415827249602425 (1.95716e-06% change)
linmin: converged after 7 iterations.
iteration 7: trace = 0.1415827248205369 (9.86742e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1415827248187983 (1.22794e-09% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1415827248187514 (3.31108e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246
elapsed time for k point: 0.005743503570556641
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.139128512598051 (10.1029% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1378170044816252 (0.947124% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1377216292272727 (0.0692282% change)
large trace change predicted (0.351976%)
linmin: converged after 6 iterations.
iteration 4: trace = 0.1372856158281962 (0.317092% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.1366576168038859 (0.458488% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1366119030153259 (0.0334569% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1366103217876671 (0.00115747% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1366097453256683 (0.000421976% change)
large trace change predicted (0.0013334%)
linmin: converged after 5 iterations.
iteration 9: trace = 0.1366079217893784 (0.00133486% change)
linmin: converged after 6 iterations.
iteration 10: trace = 0.1366070298222958 (0.000652942% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.1366069869567786 (3.13787e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.1366069853873101 (1.14889e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.136606984352414 (7.57572e-07% change)
large trace change predicted (2.51117e-06%)
linmin: converged after 7 iterations.
iteration 14: trace = 0.1366069809219635 (2.51118e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.1366069801728979 (5.48336e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.1366069801486565 (1.77453e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.1366069801469442 (1.25345e-09% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.1366069801444114 (1.85406e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.1366069801394009 (3.6678e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 0.1366069801387251 (4.94739e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 0.1366069801387 (1.8347e-11% change)
Finished solving for bands 1 to 2 after 21 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507
elapsed time for k point: 0.012731075286865234
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1288477330212029 (10.0415% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1283196778719535 (0.41067% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1283049547472065 (0.0114744% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1283044898205979 (0.000362361% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1283044779202521 (9.27508e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1283044775632081 (2.78279e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1283044775566784 (5.08924e-09% change)
linmin: converged after 12 iterations.
iteration 8: trace = 0.1283044775564042 (2.13687e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1283044775563505 (4.18591e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617
elapsed time for k point: 0.005753040313720703
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1253721759990562 (8.44741% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1250731667431224 (0.238782% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1250655728028864 (0.00607178% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.1250652918569694 (0.000224639% change)
linmin: converged after 24 iterations.
iteration 5: trace = 0.1250652868137379 (4.03248e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1250652866511762 (1.29981e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1250652866473551 (3.05531e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1250652866471705 (1.47605e-10% change)
linmin: converged after 7 iterations.
iteration 9: trace = 0.125065286647159 (9.16566e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539
elapsed time for k point: 0.005766630172729492
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1294353344754178 (8.78986% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1287958675499608 (0.495267% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1287444978499471 (0.0398925% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1287432352198245 (0.00098073% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.1287431529997959 (6.38636e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.1287431505713914 (1.88624e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1287431504657529 (8.20537e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1287431504623983 (2.60558e-09% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.1287431504622696 (9.99901e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456
elapsed time for k point: 0.005742311477661133
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1366524581132343 (4.3465% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1330957028213662 (2.63709% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1326683867029226 (0.321576% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1326585108523264 (0.00744429% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.1326532168393765 (0.00399079% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1326529644658705 (0.000190251% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1326529514655156 (9.80028e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1326529455152222 (4.48561e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.1326529452762264 (1.80166e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.1326529452646071 (8.75921e-09% change)
linmin: converged after 7 iterations.
iteration 11: trace = 0.1326529452610045 (2.71582e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.1326529452608697 (1.01562e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.1326529452608119 (4.36045e-11% change)
Finished solving for bands 2 to 2 after 13 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216
elapsed time for k point: 0.0034284591674804688
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384%
total elapsed time for run: 0.10594439506530762
done
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 2 bands at a time.
Creating Maxwell data...
Mesh size is 7.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.194427, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0008873939514160156
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
Solving for bands 2 to 2...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 0.6549253906200143 (198.431% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.3091275545744975 (71.7383% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3021663145641905 (2.27754% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3010091523576726 (0.38369% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.2989636350397318 (0.68187% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2983048314779293 (0.220606% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2982588060176778 (0.0154302% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.298256042683861 (0.000926493% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2982542423263998 (0.00060363% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2982522951543164 (0.000652859% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.2982519775108616 (0.000106502% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.2982519598579505 (5.91879e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.2982519583456514 (5.07054e-07% change)
linmin: converged after 15 iterations.
iteration 14: trace = 0.2982519560571799 (7.67295e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.2982519551981037 (2.88037e-07% change)
linmin: converged after 8 iterations.
iteration 16: trace = 0.2982519551550086 (1.44492e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.2982519551524458 (8.59287e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.2982519551507772 (5.59445e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.2982519551491578 (5.42991e-10% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.2982519551490034 (5.17418e-11% change)
Finished solving for bands 2 to 2 after 20 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124
elapsed time for k point: 0.005235433578491211
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2966250315366553 (4.81134% change)
linmin: converged after 6 iterations.
iteration 2: trace = 0.2810412199538802 (5.39544% change)
linmin: converged after 7 iterations.
iteration 3: trace = 0.2797075559501458 (0.475673% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2796368858730388 (0.0252689% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2796049788771749 (0.0114108% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2795924192270245 (0.00449203% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2795912768509242 (0.000408587% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2795911968916416 (2.85986e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2795911512747801 (1.63156e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2795911392192883 (4.31183e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.279591138056747 (4.158e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.2795911379221785 (4.81304e-08% change)
linmin: converged after 27 iterations.
iteration 13: trace = 0.2795911378697254 (1.87606e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.2795911378501708 (6.99401e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.2795911378480385 (7.62667e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2795911378478668 (6.13898e-11% change)
Finished solving for bands 1 to 2 after 16 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701
elapsed time for k point: 0.009923934936523438
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.262285041991294 (3.26212% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2613364588441809 (0.362316% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2611888623243493 (0.0564935% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2611845433419114 (0.0016536% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2611842511623715 (0.000111867% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2611842413682735 (3.74988e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.261184240987902 (1.45633e-07% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2611842409520096 (1.37422e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2611842409471598 (1.85689e-09% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2611842409470008 (6.08704e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734
elapsed time for k point: 0.006311655044555664
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2495890152828732 (3.71776% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2491349626349514 (0.182086% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2491001185963264 (0.013987% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2490994092373555 (0.000284769% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2490993783901632 (1.23835e-05% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.2490993774714976 (3.68795e-07% change)
linmin: converged after 17 iterations.
iteration 7: trace = 0.2490993774413398 (1.21067e-08% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.2490993774400472 (5.18911e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2490993774400128 (1.37943e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719
elapsed time for k point: 0.0057849884033203125
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2427649179615225 (4.12003% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.242459580028427 (0.125854% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2424461076700271 (0.00555669% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2424457235513505 (0.000158435% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2424457147102562 (3.64663e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2424457144963569 (8.82257e-08% change)
linmin: converged after 8 iterations.
iteration 7: trace = 0.2424457144901444 (2.56241e-09% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.242445714489984 (6.61589e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373
elapsed time for k point: 0.005168914794921875
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.2406037838644215 (4.34726% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2403528913598912 (0.104331% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2403446058300958 (0.00344729% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2403442785818099 (0.000136158% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2403442726085168 (2.48531e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2403442724382664 (7.08361e-08% change)
linmin: converged after 7 iterations.
iteration 7: trace = 0.2403442724330158 (2.1846e-09% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.2403442724329466 (2.88129e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115
elapsed time for k point: 0.005178689956665039
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2478650541659824 (0.665976% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2478153067195069 (0.0200724% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2478136011813217 (0.000688232% change)
linmin: converged after 9 iterations.
iteration 4: trace = 0.2478135705407395 (1.23644e-05% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.2478135698495617 (2.7891e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.247813569828165 (8.63421e-09% change)
linmin: converged after 14 iterations.
iteration 7: trace = 0.2478135698278286 (1.35724e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2478135698278218 (2.76645e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085
elapsed time for k point: 0.005178689956665039
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2689523558126344 (1.15158% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2687965094237142 (0.0579625% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2687923010456907 (0.00156565% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2687921865479118 (4.25971e-05% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.2687921840676181 (9.22755e-07% change)
linmin: converged after 16 iterations.
iteration 6: trace = 0.2687921840087602 (2.18972e-08% change)
linmin: converged after 10 iterations.
iteration 7: trace = 0.2687921840070877 (6.22226e-10% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2687921840070467 (1.52412e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323
elapsed time for k point: 0.00518488883972168
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2988641621313887 (2.11503% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2984227993488109 (0.147789% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2984110530872358 (0.00393619% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2984106728909142 (0.000127407% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.2984106621553148 (3.59759e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.298410661911048 (8.18559e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2984106619038381 (2.4161e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2984106619036122 (7.56926e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454
elapsed time for k point: 0.00515437126159668
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.3278879623914513 (3.57107% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3268031317976849 (0.331402% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3267703883056816 (0.0100198% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.3267691490121234 (0.000379256% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3267691042855297 (1.36875e-05% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.3267691033363587 (2.90471e-07% change)
linmin: converged after 20 iterations.
iteration 7: trace = 0.3267691033112133 (7.69517e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.3267691033102657 (2.89983e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3267691033102509 (4.51878e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688
elapsed time for k point: 0.005761146545410156
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.3410949974631013 (5.35228% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3391984614179793 (0.557564% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3391366043905772 (0.0182379% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.339134207757369 (0.000706689% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3391341108700711 (2.8569e-05% change)
linmin: converged after 13 iterations.
iteration 6: trace = 0.3391341089176967 (5.75694e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.3391341088659968 (1.52447e-08% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.3391341088634661 (7.46223e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3391341088633691 (2.85958e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621
elapsed time for k point: 0.005728721618652344
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3320175035443904 (7.19666% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.32885221764261 (0.957915% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.3263796244791458 (0.754723% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.3219901164799807 (1.35401% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.3215485300393172 (0.137237% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3215259880095883 (0.00701071% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.321524056913301 (0.000600605% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.3215211961989128 (0.00088974% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.3215198890578126 (0.00040655% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.3215197879153993 (3.14576e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.3215197847617491 (9.80857e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.3215197841679537 (1.84684e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.321519783062564 (3.43801e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.321519782785553 (8.61567e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.3215197827696911 (4.93344e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.3215197827690932 (1.85947e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.3215197827688706 (6.92336e-11% change)
Finished solving for bands 1 to 2 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436
elapsed time for k point: 0.010422945022583008
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2914724979423134 (6.31106% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2901669297397642 (0.448927% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2901228936895049 (0.0151773% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2901214428380559 (0.000500083% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2901214024217765 (1.39308e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2901214014190728 (3.45615e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2901214013741388 (1.5488e-08% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.2901214013724249 (5.90755e-10% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2901214013723648 (2.07219e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197
elapsed time for k point: 0.005746364593505859
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2714938962778228 (4.17227% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2709002793369421 (0.218888% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.270862840327649 (0.0138212% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2708607902378602 (0.000756877% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2708607279884342 (2.29821e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2708607259652259 (7.46955e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2708607258906749 (2.75237e-08% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2708607258855507 (1.89183e-09% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2708607258851874 (1.34136e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.2708607258851711 (6.02534e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863
elapsed time for k point: 0.006354570388793945
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 9 iterations.
iteration 1: trace = 0.275727883707746 (3.37811% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2752294374122133 (0.180938% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2751077523722808 (0.044222% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.275094762042982 (0.00472202% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2750943791629711 (0.000139181% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2750943682465168 (3.96826e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.275094367781892 (1.68897e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.275094367703044 (2.86622e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2750943676888276 (5.16783e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.2750943676881246 (2.55546e-10% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.2750943676881146 (3.63221e-12% change)
Finished solving for bands 1 to 2 after 11 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638
elapsed time for k point: 0.006895780563354492
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3063507184996812 (2.00508% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3031319400186664 (1.05623% change)
linmin: converged after 7 iterations.
iteration 3: trace = 0.2988994850147804 (1.40606% change)
linmin: converged after 8 iterations.
iteration 4: trace = 0.2982983429994932 (0.201321% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.2982585418778202 (0.0133436% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2982566127600081 (0.000646796% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2982536607041398 (0.000989775% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2982520309344616 (0.000546439% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2982519600533238 (2.37655e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2982519569354715 (1.04538e-06% change)
linmin: converged after 7 iterations.
iteration 11: trace = 0.2982519563685401 (1.90085e-07% change)
linmin: converged after 16 iterations.
iteration 12: trace = 0.2982519553645638 (3.3662e-07% change)
linmin: converged after 10 iterations.
iteration 13: trace = 0.2982519551600099 (6.85843e-08% change)
linmin: converged after 22 iterations.
iteration 14: trace = 0.2982519551499672 (3.36716e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.2982519551494953 (1.58241e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2982519551492224 (9.14974e-11% change)
Finished solving for bands 2 to 2 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124
elapsed time for k point: 0.004203319549560547
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212%
total elapsed time for run: 0.09987902641296387
done
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 2 bands at a time.
Creating Maxwell data...
Mesh size is 7.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.161094, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0009284019470214844
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 0.8865138653874612 (197.906% change)
linmin: converged after 8 iterations.
iteration 2: trace = 0.3200046970003622 (93.9081% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.3068086580978387 (4.21052% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.3030326413122449 (1.23836% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.3026141893486451 (0.138183% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.3025973435560046 (0.00556691% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.3025960087856283 (0.000441105% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3025957149074368 (9.7119e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3025956971360175 (5.87299e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.3025956960690346 (3.5261e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.3025956959599987 (3.60335e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.3025956959421134 (5.91063e-09% change)
linmin: converged after 7 iterations.
iteration 13: trace = 0.3025956959407101 (4.63743e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.3025956959406486 (2.03262e-11% change)
Finished solving for bands 2 to 2 after 14 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087
elapsed time for k point: 0.003777742385864258
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.304694850544768 (3.77829% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3012169493975252 (1.14799% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3009374600602785 (0.0928298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3009299252030405 (0.00250383% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.3009297396741477 (6.16519e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.30092972116028 (6.15222e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3009297179658467 (1.06152e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.3009297177077819 (8.57558e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.3009297177020471 (1.90569e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.3009297177018309 (7.18493e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799
elapsed time for k point: 0.006392955780029297
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.2993772621931762 (4.06065% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2971754981861197 (0.738162% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2969647758505132 (0.0709335% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2969599541881608 (0.00162366% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2969598407822387 (3.8189e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2969598364647942 (1.45388e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2969598362066004 (8.69457e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.296959836184407 (7.47356e-09% change)
linmin: converged after 9 iterations.
iteration 9: trace = 0.2969598361819389 (8.31116e-10% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2969598361818409 (3.30121e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188
elapsed time for k point: 0.00632476806640625
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.2938435215784341 (4.30612% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2927441839095635 (0.374825% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2926467105733512 (0.033302% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2926449733559747 (0.000593624% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2926449193562999 (1.84523e-05% change)
linmin: converged after 13 iterations.
iteration 6: trace = 0.292644917689337 (5.6962e-07% change)
linmin: converged after 35 iterations.
iteration 7: trace = 0.2926449175856842 (3.54193e-08% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2926449175810242 (1.59239e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2926449175807107 (1.07136e-10% change)
linmin: converged after 17 iterations.
iteration 10: trace = 0.2926449175807007 (3.41438e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698
elapsed time for k point: 0.0063703060150146484
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2901150873109321 (4.44251% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2895449449297268 (0.196716% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2895150953299019 (0.0103097% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2895144114344814 (0.000236221% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2895143963165008 (5.22184e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2895143959258291 (1.3494e-07% change)
linmin: converged after 19 iterations.
iteration 7: trace = 0.2895143959126527 (4.55123e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2895143959121476 (1.74463e-10% change)
linmin: converged after 9 iterations.
iteration 9: trace = 0.2895143959121311 (5.67547e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279
elapsed time for k point: 0.005753278732299805
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.288803400262168 (4.49556% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2883971863650514 (0.140753% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2883890967942879 (0.00280505% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2883886834700361 (0.000143322% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2883886769569957 (2.25842e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2883886767783875 (6.19331e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2883886767738498 (1.57349e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2883886767737718 (2.70252e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512
elapsed time for k point: 0.0051767826080322266
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2982501673194342 (0.506108% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.2982104738003746 (0.0133097% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2982086460163033 (0.000612919% change)
linmin: converged after 23 iterations.
iteration 4: trace = 0.2982086207857152 (8.46072e-06% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2982086197260261 (3.55352e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.298208619695097 (1.03716e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2982086196943675 (2.44637e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2982086196943483 (6.44075e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808
elapsed time for k point: 0.005320549011230469
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3266367774016526 (0.830279% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.3265044430836116 (0.0405224% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.3264980604168627 (0.00195487% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.3264979266586152 (4.09676e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3264979229973254 (1.12138e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.3264979228246051 (5.29009e-08% change)
linmin: converged after 15 iterations.
iteration 7: trace = 0.3264979228224313 (6.65798e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.3264979228223415 (2.75092e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208
elapsed time for k point: 0.005360841751098633
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.3695365223764 (1.48558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3690894962296903 (0.121043% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3690670482003574 (0.00608219% change)
linmin: converged after 9 iterations.
iteration 4: trace = 0.369066437746191 (0.000165405% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3690664179900577 (5.353e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3690664173327335 (1.78105e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3690664173183388 (3.9003e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.3690664173180317 (8.32066e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732
elapsed time for k point: 0.0053637027740478516
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.4173499292601254 (2.62841% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.4156434788169446 (0.409715% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.4155485977073974 (0.0228301% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.4155449430743093 (0.000879476% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.4155448032643572 (3.3645e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.4155448000759097 (7.67293e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.4155447999425277 (3.20981e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.4155447999216207 (5.03121e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.4155447999210303 (1.42083e-10% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.4155447999210046 (6.19841e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571
elapsed time for k point: 0.006546735763549805
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.4460423269353659 (5.07015% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.4401376357000977 (1.33262% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.4398345567490911 (0.0688838% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.4398187039759408 (0.00360432% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.4398182310628918 (0.000107525% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.4398182203781182 (2.42936e-06% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.4398182200041564 (8.50264e-08% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.4398182199097659 (2.14613e-08% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.4398182199058903 (8.81187e-10% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.4398182199057518 (3.14904e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278
elapsed time for k point: 0.006520271301269531
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.4254304940104555 (7.90763% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.4154061158898801 (2.38438% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.4086474339536491 (1.64035% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.4030720876492543 (1.37371% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.4025050595480553 (0.140776% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.4024773504470213 (0.0068844% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.4024758244070205 (0.000379162% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.4024756354882399 (4.69392e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.40247550442241 (3.25649e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.4024754425634778 (1.53696e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.4024754386798522 (9.64935e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.4024754384625262 (5.39973e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.4024754384481776 (3.56508e-09% change)
linmin: converged after 7 iterations.
iteration 14: trace = 0.4024754384464003 (4.41592e-10% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.4024754384452956 (2.74483e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.4024754384447274 (1.41166e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.4024754384446911 (9.03404e-12% change)
Finished solving for bands 1 to 2 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161
elapsed time for k point: 0.010434865951538086
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3494947013271267 (5.04145% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3477682141916972 (0.495218% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3476951474265371 (0.0210124% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.3476919810771725 (0.000910672% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.3476919224042099 (1.6875e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.3476919188690358 (1.01675e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.3476919187143103 (4.45008e-08% change)
linmin: converged after 18 iterations.
iteration 8: trace = 0.3476919187046027 (2.792e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3476919187043958 (5.95198e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254
elapsed time for k point: 0.005922079086303711
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.313674462678804 (3.55049% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3125395680681952 (0.362462% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3124731771050028 (0.0212447% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3124702465943586 (0.000937848% change)
linmin: converged after 11 iterations.
iteration 5: trace = 0.3124701893749383 (1.8312e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3124701860944269 (1.04986e-06% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.3124701859365773 (5.05167e-08% change)
linmin: converged after 18 iterations.
iteration 8: trace = 0.3124701859237748 (4.09718e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3124701859233402 (1.39084e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.312470185923318 (7.10611e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918
elapsed time for k point: 0.006334543228149414
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.3038101253174502 (3.91494% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3016593346553426 (0.710454% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.3014471622741597 (0.0703598% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3014388140917271 (0.00276941% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.3014386435309352 (5.65822e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3014386380615977 (1.81441e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3014386378123752 (8.26777e-08% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.3014386377980788 (4.74274e-09% change)
linmin: converged after 10 iterations.
iteration 9: trace = 0.3014386377957531 (7.71532e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.3014386377955977 (5.15631e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572
elapsed time for k point: 0.006348371505737305
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3082775823540669 (5.57215% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3031076120438354 (1.69123% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3026170118071226 (0.161988% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.3025983731804747 (0.00615934% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.302596172251638 (0.000727346% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.302595719263861 (0.000149701% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3025956975678885 (7.16995e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3025956961202268 (4.78414e-07% change)
linmin: converged after 29 iterations.
iteration 9: trace = 0.3025956959692822 (4.98833e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.30259569594187 (9.05901e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.3025956959407161 (3.81337e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.3025956959406537 (2.06198e-11% change)
Finished solving for bands 2 to 2 after 12 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087
.elapsed time for k point: 0.0037043094635009766
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0>
Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185%
total elapsed time for run: 0.09731340408325195
done
/tmp/meepg15Lzl/test_maximize_first_tm_gap-0: 0.41s
/tmp/meepg15Lzl/test_multiply_bloch_in_mpb_data-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013773441314697266
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14090394973754883
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.3924992084503174
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08634257316589355
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.0794534683227539
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09209513664245605
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14416289329528809
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10885286331176758
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09215593338012695
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07951617240905762
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07599639892578125
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07609105110168457
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.060044288635253906
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.06996273994445801
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09525179862976074
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11157107353210449
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2486732006072998
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9561316967010498
done
Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
real part range: -1.10098 .. 1.10098
imag part range: -0.00870098 .. 0.00766384
real part range: -1.10099 .. 1.10099
imag part range: -0.00766496 .. 0.00870069
real part range: 0 .. 0
imag part range: 0 .. 0
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0014317035675048828
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14011240005493164
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39408445358276367
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08652019500732422
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07971596717834473
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09254741668701172
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14331698417663574
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.1086571216583252
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09253621101379395
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07961082458496094
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07638955116271973
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07622146606445312
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.060231924057006836
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07006096839904785
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09552597999572754
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11205863952636719
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.24851536750793457
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9587078094482422
done
Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
real part range: -1.10098 .. 1.10098
imag part range: -0.00870098 .. 0.00766384
real part range: -1.10099 .. 1.10099
imag part range: -0.00766496 .. 0.00870069
real part range: 0 .. 0
imag part range: 0 .. 0
./tmp/meepg15Lzl/test_multiply_bloch_in_mpb_data-0: 3.96s
/tmp/meepg15Lzl/test_multiply_bloch_phase-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013387203216552734
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1406857967376709
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39192652702331543
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08634042739868164
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07945728302001953
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09218692779541016
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14309144020080566
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10826873779296875
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09216547012329102
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.0793449878692627
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07612180709838867
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07572054862976074
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06012749671936035
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.0696260929107666
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09511709213256836
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11148715019226074
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.24834227561950684
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9525063037872314
done
Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
./tmp/meepg15Lzl/test_multiply_bloch_phase-0: 1.96s
/tmp/meepg15Lzl/test_output_charge_density-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.0013325214385986328
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1403367519378662
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.391690731048584
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08620047569274902
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07920050621032715
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09177923202514648
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14344096183776855
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.1085054874420166
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09192633628845215
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07929539680480957
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07610774040222168
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07579469680786133
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.0601348876953125
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.06968069076538086
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09543156623840332
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11137676239013672
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.24825692176818848
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9516477584838867
done
Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
.Outputting complex scalar field to /tmp/meepg15Lzl/test_output_charge_density-0-C.k16.b08.te.h5...
/tmp/meepg15Lzl/test_output_charge_density-0: 1.96s
/tmp/meepg15Lzl/test_output_dpwr_in_objects-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013380050659179688
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.13976192474365234
D-energy-components:, 1, 1, 0, 0, 0
dpwr:, 1, 0.0, 0.0
D-energy-components:, 1, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5527092320102546, 0.8567435000049365
Outputting fields to /tmp/meepg15Lzl/test_output_dpwr_in_objects-0-d.k01.b02.te.h5...
D-energy-components:, 1, 3, 0.455928, 0.544072, 0
dpwr:, 3, 0.7732265593069426, 0.5288260557983413
D-energy-components:, 1, 4, 0.544076, 0.455924, 0
dpwr:, 4, 0.7732298839480439, 0.5288079654922656
D-energy-components:, 1, 5, 0.5, 0.5, 0
dpwr:, 5, 0.9229965195854466, 0.08910010798064814
D-energy-components:, 1, 6, 0.125495, 0.874505, 0
dpwr:, 6, 1.000171117688413, 0.4012464930179532
D-energy-components:, 1, 7, 0.874503, 0.125497, 0
dpwr:, 7, 1.0001720032258794, 0.40125199105710213
D-energy-components:, 1, 8, 0.499992, 0.500008, 0
dpwr:, 8, 1.092820931747629, 0.2872056682632663
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.3928849697113037
D-energy-components:, 2, 1, 0.0311142, 0.968886, 0
dpwr:, 1, 0.08973322605272505, 0.04603176933548133
D-energy-components:, 2, 2, 0.488088, 0.511912, 0
dpwr:, 2, 0.551137686974427, 0.8445541870140358
D-energy-components:, 2, 3, 0.219526, 0.780474, 0
dpwr:, 3, 0.7615997355586388, 0.4427396122607623
D-energy-components:, 2, 4, 0.779994, 0.220006, 0
dpwr:, 4, 0.7746821846144919, 0.5367491123449687
D-energy-components:, 2, 5, 0.333449, 0.666551, 0
dpwr:, 5, 0.9071987086409541, 0.3120181983347261
D-energy-components:, 2, 6, 0.881419, 0.118581, 0
dpwr:, 6, 1.001877952940223, 0.38913339289709303
D-energy-components:, 2, 7, 0.392233, 0.607767, 0
dpwr:, 7, 1.0035701586968402, 0.27762088392887485
D-energy-components:, 2, 8, 0.507954, 0.492046, 0
dpwr:, 8, 1.1020906511633553, 0.6676492387496954
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.0864722728729248
D-energy-components:, 3, 1, 0.0363561, 0.963644, 0
dpwr:, 1, 0.17869200446402672, 0.05442207264059689
D-energy-components:, 3, 2, 0.446363, 0.553637, 0
dpwr:, 2, 0.5448958802776009, 0.7942737936904464
D-energy-components:, 3, 3, 0.23103, 0.76897, 0
dpwr:, 3, 0.7285335884676534, 0.3007717411390054
D-energy-components:, 3, 4, 0.758854, 0.241146, 0
dpwr:, 4, 0.7785279987553604, 0.5586605740266591
D-energy-components:, 3, 5, 0.240477, 0.759523, 0
dpwr:, 5, 0.8802435456076878, 0.5941655354344233
D-energy-components:, 3, 6, 0.863785, 0.136215, 0
dpwr:, 6, 1.0069870419364997, 0.35472339075154585
D-energy-components:, 3, 7, 0.585239, 0.414761, 0
dpwr:, 7, 1.0169614533587052, 0.21322445865289832
D-energy-components:, 3, 8, 0.535346, 0.464654, 0
dpwr:, 8, 1.1002742200343298, 0.623265498628933
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07966756820678711
D-energy-components:, 4, 1, 0.0468976, 0.953102, 0
dpwr:, 1, 0.26579760671574704, 0.07189021129298956
D-energy-components:, 4, 2, 0.35602, 0.64398, 0
dpwr:, 2, 0.528175580889728, 0.6596795148910987
D-energy-components:, 4, 3, 0.27068, 0.72932, 0
dpwr:, 3, 0.6854491685263079, 0.3005421253041571
D-energy-components:, 4, 4, 0.732284, 0.267716, 0
dpwr:, 4, 0.783377431811592, 0.5880663066200458
D-energy-components:, 4, 5, 0.261431, 0.738569, 0
dpwr:, 5, 0.8607144514828621, 0.7295588531345849
D-energy-components:, 4, 6, 0.829353, 0.170647, 0
dpwr:, 6, 1.015152030425295, 0.30554099772434606
D-energy-components:, 4, 7, 0.603026, 0.396974, 0
dpwr:, 7, 1.0384314734879103, 0.24673894341648742
D-energy-components:, 4, 8, 0.592482, 0.407518, 0
dpwr:, 8, 1.0966392149656101, 0.5396650770126294
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09280776977539062
D-energy-components:, 5, 1, 0.0662302, 0.93377, 0
dpwr:, 1, 0.34895594992452583, 0.10384524472299073
D-energy-components:, 5, 2, 0.226367, 0.773633, 0
dpwr:, 2, 0.490738447617832, 0.4356739544080347
D-energy-components:, 5, 3, 0.351613, 0.648387, 0
dpwr:, 3, 0.6527974478809139, 0.4481425123507
D-energy-components:, 5, 4, 0.710454, 0.289546, 0
dpwr:, 4, 0.7873816318426072, 0.6139011766780409
D-energy-components:, 5, 5, 0.295332, 0.704668, 0
dpwr:, 5, 0.8499993146942633, 0.7699338908264387
D-energy-components:, 5, 6, 0.77736, 0.22264, 0
dpwr:, 6, 1.024429460878491, 0.2578911955076916
D-energy-components:, 5, 7, 0.546257, 0.453743, 0
dpwr:, 7, 1.0644076666285343, 0.3322131408251663
D-energy-components:, 5, 8, 0.681176, 0.318824, 0
dpwr:, 8, 1.0912080621155025, 0.432931740401934
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14443302154541016
D-energy-components:, 6, 1, 0.0773009, 0.922699, 0
dpwr:, 1, 0.4127906712654536, 0.0860399668649528
D-energy-components:, 6, 2, 0.165167, 0.834833, 0
dpwr:, 2, 0.4415884497225444, 0.3584484766510359
D-energy-components:, 6, 3, 0.391615, 0.608385, 0
dpwr:, 3, 0.6419977365450051, 0.5328472337342331
D-energy-components:, 6, 4, 0.702039, 0.297961, 0
dpwr:, 4, 0.7889329895481019, 0.6242704622253022
D-energy-components:, 6, 5, 0.308697, 0.691303, 0
dpwr:, 5, 0.8465878695825275, 0.7771267587548937
D-energy-components:, 6, 6, 0.742736, 0.257264, 0
dpwr:, 6, 1.0291597050650207, 0.2368121142822689
D-energy-components:, 6, 7, 0.350801, 0.649199, 0
dpwr:, 7, 1.086072932359417, 0.5782428834882117
D-energy-components:, 6, 8, 0.737396, 0.262604, 0
dpwr:, 8, 1.0878689635052696, 0.3795081622229656
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10989785194396973
D-energy-components:, 7, 1, 0.12807, 0.87193, 0
dpwr:, 1, 0.4237414613237853, 0.08405292712306052
D-energy-components:, 7, 2, 0.190236, 0.809764, 0
dpwr:, 2, 0.44578070370980216, 0.37490215610134964
D-energy-components:, 7, 3, 0.394034, 0.605966, 0
dpwr:, 3, 0.6382302673378553, 0.508227094763859
D-energy-components:, 7, 4, 0.691881, 0.308119, 0
dpwr:, 4, 0.7931468861820258, 0.6251503072194667
D-energy-components:, 7, 5, 0.335703, 0.664297, 0
dpwr:, 5, 0.8429434922386815, 0.7355775624966431
D-energy-components:, 7, 6, 0.716117, 0.283883, 0
dpwr:, 6, 0.9865231609182584, 0.18697860289998966
D-energy-components:, 7, 7, 0.592896, 0.407104, 0
dpwr:, 7, 1.0501755817174658, 0.4077764093960339
D-energy-components:, 7, 8, 0.507261, 0.492739, 0
dpwr:, 8, 1.1038343097294325, 0.6404816835444186
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09283041954040527
D-energy-components:, 8, 1, 0.253956, 0.746044, 0
dpwr:, 1, 0.4547812725154716, 0.08020083733746218
D-energy-components:, 8, 2, 0.258536, 0.741464, 0
dpwr:, 2, 0.4574339768574993, 0.42543224668170315
D-energy-components:, 8, 3, 0.39346, 0.60654, 0
dpwr:, 3, 0.6278984163475767, 0.43806479968572104
D-energy-components:, 8, 4, 0.668133, 0.331867, 0
dpwr:, 4, 0.8052541518094462, 0.6230094255563579
D-energy-components:, 8, 5, 0.454908, 0.545092, 0
dpwr:, 5, 0.8261006682422064, 0.5373015422282856
D-energy-components:, 8, 6, 0.562281, 0.437719, 0
dpwr:, 6, 0.927944859792419, 0.35266364984631754
D-energy-components:, 8, 7, 0.614808, 0.385192, 0
dpwr:, 7, 1.0045628522255505, 0.42073899377174034
D-energy-components:, 8, 8, 0.497393, 0.502607, 0
dpwr:, 8, 1.108792554315, 0.7279717672398118
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08002305030822754
D-energy-components:, 9, 1, 0.353246, 0.646754, 0
dpwr:, 1, 0.47376659593612236, 0.5125827722134951
D-energy-components:, 9, 2, 0.406264, 0.593736, 0
dpwr:, 2, 0.5012788429465528, 0.07946478028058174
D-energy-components:, 9, 3, 0.37582, 0.62418, 0
dpwr:, 3, 0.6135801757468698, 0.3288116237040682
D-energy-components:, 9, 4, 0.604014, 0.395986, 0
dpwr:, 4, 0.7814668693238181, 0.22327322644032324
D-energy-components:, 9, 5, 0.642263, 0.357737, 0
dpwr:, 5, 0.8241814443502156, 0.6095695047986233
D-energy-components:, 9, 6, 0.357719, 0.642281, 0
dpwr:, 6, 0.8949492139663714, 0.6540286383381512
D-energy-components:, 9, 7, 0.617321, 0.382679, 0
dpwr:, 7, 0.9590511572130652, 0.46189058607300787
D-energy-components:, 9, 8, 0.497742, 0.502258, 0
dpwr:, 8, 1.1106978152214078, 0.7615498171458284
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07642483711242676
D-energy-components:, 10, 1, 0.450645, 0.549355, 0
dpwr:, 1, 0.4896492003298964, 0.6285469371615308
D-energy-components:, 10, 2, 0.55965, 0.44035, 0
dpwr:, 2, 0.5560451343598191, 0.0903499596303509
D-energy-components:, 10, 3, 0.336621, 0.663379, 0
dpwr:, 3, 0.5995699405207225, 0.1959780618291914
D-energy-components:, 10, 4, 0.593365, 0.406635, 0
dpwr:, 4, 0.7196106755137285, 0.08289042691568235
D-energy-components:, 10, 5, 0.620299, 0.379701, 0
dpwr:, 5, 0.8492467967258347, 0.5777971969564293
D-energy-components:, 10, 6, 0.283543, 0.716457, 0
dpwr:, 6, 0.8843373771777039, 0.7772986149184443
D-energy-components:, 10, 7, 0.618314, 0.381686, 0
dpwr:, 7, 0.9171675057709648, 0.5159863025112328
D-energy-components:, 10, 8, 0.499316, 0.500684, 0
dpwr:, 8, 1.1116210575363994, 0.7756611032715237
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07646036148071289
D-energy-components:, 11, 1, 0.500002, 0.499998, 0
dpwr:, 1, 0.4968358647448986, 0.6986360262353924
D-energy-components:, 11, 2, 0.490408, 0.509592, 0
dpwr:, 2, 0.5931405141160886, 0.11965861786804133
D-energy-components:, 11, 3, 0.509591, 0.490409, 0
dpwr:, 3, 0.5931535863117833, 0.11954218308176906
D-energy-components:, 11, 4, 0.499999, 0.500001, 0
dpwr:, 4, 0.6791690130757021, 0.026633379719866956
D-energy-components:, 11, 5, 0.5, 0.5, 0
dpwr:, 5, 0.8786838141604552, 0.2997497622839382
D-energy-components:, 11, 6, 0.362, 0.638, 0
dpwr:, 6, 0.881977091666069, 0.8023568424744697
D-energy-components:, 11, 7, 0.638005, 0.361995, 0
dpwr:, 7, 0.8819818134421863, 0.8023816357258053
D-energy-components:, 11, 8, 0.499999, 0.500001, 0
dpwr:, 8, 1.1119173707556913, 0.7797381408707402
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06052803993225098
D-energy-components:, 12, 1, 0.500001, 0.499999, 0
dpwr:, 1, 0.4709868954434172, 0.41845731017621085
D-energy-components:, 12, 2, 0.5, 0.5, 0
dpwr:, 2, 0.5460026488335807, 0.3658958857129391
D-energy-components:, 12, 3, 0.5, 0.5, 0
dpwr:, 3, 0.6067323336356549, 0.12560615204419626
D-energy-components:, 12, 4, 0.499999, 0.500001, 0
dpwr:, 4, 0.7436021910476279, 0.11295231544330911
D-energy-components:, 12, 5, 0.499995, 0.500005, 0
dpwr:, 5, 0.8392225951317908, 0.573850559806543
D-energy-components:, 12, 6, 0.500004, 0.499996, 0
dpwr:, 6, 0.8822539391893133, 0.7904020720470327
D-energy-components:, 12, 7, 0.500006, 0.499994, 0
dpwr:, 7, 0.9369700961990083, 0.4818498954987373
D-energy-components:, 12, 8, 0.499999, 0.500001, 0
dpwr:, 8, 1.1112079237958836, 0.77061008284024
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07016348838806152
D-energy-components:, 13, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.37243467691290166, 0.1223740833813474
D-energy-components:, 13, 2, 0.500002, 0.499998, 0
dpwr:, 2, 0.5361862884392886, 0.6769327340989899
D-energy-components:, 13, 3, 0.5, 0.5, 0
dpwr:, 3, 0.6445723178214436, 0.15055644500912893
D-energy-components:, 13, 4, 0.499998, 0.500002, 0
dpwr:, 4, 0.8096891551677099, 0.5562411649880867
D-energy-components:, 13, 5, 0.499996, 0.500004, 0
dpwr:, 5, 0.825804393421293, 0.2464350024546788
D-energy-components:, 13, 6, 0.500008, 0.499992, 0
dpwr:, 6, 0.8836423042160464, 0.7471141728536403
D-energy-components:, 13, 7, 0.5, 0.5, 0
dpwr:, 7, 1.010203217330907, 0.38074698867754087
D-energy-components:, 13, 8, 0.5, 0.5, 0
dpwr:, 8, 1.107251471986555, 0.7236183032339155
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09622621536254883
D-energy-components:, 14, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.2520880962287429, 0.06537222988460781
D-energy-components:, 14, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5428871357208418, 0.776089779273674
D-energy-components:, 14, 3, 0.500001, 0.499999, 0
dpwr:, 3, 0.6980810670314974, 0.22096216698502874
D-energy-components:, 14, 4, 0.5, 0.5, 0
dpwr:, 4, 0.7893713580516234, 0.5549181091414706
D-energy-components:, 14, 5, 0.499969, 0.500031, 0
dpwr:, 5, 0.8884826102636717, 0.6405660798559313
D-energy-components:, 14, 6, 0.500033, 0.499967, 0
dpwr:, 6, 0.8978578700405546, 0.3162262953638465
D-energy-components:, 14, 7, 0.499994, 0.500006, 0
dpwr:, 7, 1.078841340829401, 0.46522856191784423
D-energy-components:, 14, 8, 0.500005, 0.499995, 0
dpwr:, 8, 1.0903856458796717, 0.5462861490109712
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11251688003540039
D-energy-components:, 15, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.12684106903469342, 0.047952797703298834
D-energy-components:, 15, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5499075072904045, 0.8350614780733144
D-energy-components:, 15, 3, 0.499999, 0.500001, 0
dpwr:, 3, 0.7503777100615932, 0.3870295603731526
D-energy-components:, 15, 4, 0.500004, 0.499996, 0
dpwr:, 4, 0.7772608508874288, 0.5369475337156477
D-energy-components:, 15, 5, 0.499997, 0.500003, 0
dpwr:, 5, 0.9030590134928069, 0.3906213130756244
D-energy-components:, 15, 6, 0.500003, 0.499997, 0
dpwr:, 6, 0.9619844143351223, 0.36404230320257
D-energy-components:, 15, 7, 0.500001, 0.499999, 0
dpwr:, 7, 1.041906497274037, 0.3229108453858703
D-energy-components:, 15, 8, 0.499999, 0.500001, 0
dpwr:, 8, 1.100036744786668, 0.648922709694379
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.24857568740844727
D-energy-components:, 16, 1, 0, 0, 0
dpwr:, 1, 0.0, 0.0
D-energy-components:, 16, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5527092320101995, 0.8567434642230596
Outputting fields to /tmp/meepg15Lzl/test_output_dpwr_in_objects-0-d.k16.b02.te.h5...
D-energy-components:, 16, 3, 0.455928, 0.544072, 0
dpwr:, 3, 0.7732265593069766, 0.528826082855366
D-energy-components:, 16, 4, 0.544076, 0.455924, 0
dpwr:, 4, 0.7732298839480536, 0.5288079685695205
D-energy-components:, 16, 5, 0.5, 0.5, 0
dpwr:, 5, 0.922996519585588, 0.08910054416430166
D-energy-components:, 16, 6, 0.125495, 0.874505, 0
dpwr:, 6, 1.0001711176882835, 0.4012466293260191
D-energy-components:, 16, 7, 0.874503, 0.125497, 0
dpwr:, 7, 1.000172003225706, 0.4012520176859986
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
.dpwr:, 8, 1.0928209317478468, 0.2872053790863704
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0119807720184326
done
/tmp/meepg15Lzl/test_output_dpwr_in_objects-0: 2.01s
/tmp/meepg15Lzl/test_output_efield_z-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013523101806640625
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...
near maximum in trace
linmin: converged after 16 iterations.
iteration 1: trace = 13.34219610907316 (195.048% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.483795574134645 (83.4846% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.748523532084566 (14.3716% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.479228674664691 (5.83663% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.407766153594937 (1.60825% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.393474956211726 (0.324754% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.387914820096039 (0.126635% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.384214110536306 (0.0843743% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.382673979920479 (0.0351352% change)
linmin: converged after 6 iterations.
iteration 10: trace = 4.381187024151515 (0.0339338% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.378592064872483 (0.0592471% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.375630652773514 (0.0676568% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.374037327479996 (0.0364202% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.373782477119388 (0.0058266% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.373742613479035 (0.000911427% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.373730192660378 (0.000283986% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.373724731090828 (0.000124872% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.373723431190648 (2.97207e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.373722977266439 (1.03784e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.373722547638314 (9.82294e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.373721986616824 (1.28271e-05% change)
linmin: converged after 8 iterations.
iteration 22: trace = 4.373721450686105 (1.22534e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.373721224632515 (5.16845e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.373721180253412 (1.01468e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.373721172520035 (1.76815e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.373721170365219 (4.92674e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.373721169530104 (1.90939e-08% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.373721169259862 (6.17878e-09% change)
linmin: converged after 28 iterations.
iteration 29: trace = 4.373721169186911 (1.66793e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.373721169145532 (9.4609e-10% change)
linmin: converged after 11 iterations.
iteration 31: trace = 4.373721169066987 (1.79584e-09% change)
linmin: converged after 3 iterations.
iteration 32: trace = 4.373721168966431 (2.2991e-09% change)
linmin: converged after 5 iterations.
iteration 33: trace = 4.373721168940524 (5.92319e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 4.373721168933659 (1.56974e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 4.37372116892797 (1.30067e-10% change)
linmin: converged after 4 iterations.
iteration 36: trace = 4.373721168920043 (1.81241e-10% change)
linmin: converged after 6 iterations.
iteration 37: trace = 4.373721168904344 (3.58949e-10% change)
large trace change predicted (9.95405e-10%)
linmin: converged after 5 iterations.
iteration 38: trace = 4.373721168860811 (9.95315e-10% change)
large trace change predicted (4.53523e-09%)
linmin: converged after 6 iterations.
iteration 39: trace = 4.373721168662423 (4.53591e-09% change)
large trace change predicted (2.07011e-08%)
linmin: converged after 3 iterations.
iteration 40: trace = 4.373721167757034 (2.07007e-08% change)
large trace change predicted (8.12557e-08%)
linmin: converged after 4 iterations.
iteration 41: trace = 4.373721164203222 (8.12537e-08% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.37372115830691 (1.34812e-07% change)
linmin: converged after 5 iterations.
iteration 43: trace = 4.373721154436483 (8.84928e-08% change)
linmin: converged after 11 iterations.
iteration 44: trace = 4.373721151274946 (7.22848e-08% change)
large trace change predicted (2.03287e-07%)
linmin: converged after 6 iterations.
iteration 45: trace = 4.373721142383832 (2.03285e-07% change)
large trace change predicted (4.92802e-07%)
linmin: converged after 6 iterations.
iteration 46: trace = 4.373721120833393 (4.92725e-07% change)
linmin: converged after 4 iterations.
iteration 47: trace = 4.37372107793805 (9.80752e-07% change)
large trace change predicted (2.055e-06%)
linmin: converged after 6 iterations.
iteration 48: trace = 4.373720988609533 (2.04239e-06% change)
linmin: converged after 6 iterations.
iteration 49: trace = 4.373720903699593 (1.94137e-06% change)
linmin: converged after 9 iterations.
iteration 50: trace = 4.373720867145784 (8.3576e-07% change)
linmin: converged after 6 iterations.
iteration 51: trace = 4.37372085603617 (2.54008e-07% change)
linmin: converged after 9 iterations.
iteration 52: trace = 4.373720853582015 (5.61114e-08% change)
linmin: converged after 5 iterations.
iteration 53: trace = 4.373720853002698 (1.32454e-08% change)
linmin: converged after 7 iterations.
iteration 54: trace = 4.373720852585022 (9.54968e-09% change)
linmin: converged after 5 iterations.
iteration 55: trace = 4.373720851986538 (1.36836e-08% change)
linmin: converged after 8 iterations.
iteration 56: trace = 4.373720851520712 (1.06506e-08% change)
linmin: converged after 4 iterations.
iteration 57: trace = 4.373720851245481 (6.29284e-09% change)
linmin: converged after 7 iterations.
iteration 58: trace = 4.373720851095249 (3.43487e-09% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.373720851044093 (1.16963e-09% change)
linmin: converged after 4 iterations.
iteration 60: trace = 4.373720851034473 (2.19947e-10% change)
linmin: converged after 5 iterations.
iteration 61: trace = 4.373720851032822 (3.7751e-11% change)
Finished solving for bands 2 to 8 after 61 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
elapsed time for k point: 0.16489410400390625
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.357909575996686 (1.16097% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.317128641663713 (0.94019% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.299320136589965 (0.413361% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.292732191285522 (0.15335% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.291500652316352 (0.028693% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.291042414673696 (0.0106784% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.290902808716371 (0.00325348% change)
linmin: converged after 6 iterations.
iteration 8: trace = 4.2908721193893 (0.000715221% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.29086322736101 (0.000207231% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.290859496337257 (8.69528e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.290858035134088 (3.40539e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.290857390244804 (1.50294e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.290857285462815 (2.44198e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.290857271945756 (3.1502e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.290857267538623 (1.0271e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 4.290857264553208 (6.95762e-08% change)
linmin: converged after 11 iterations.
iteration 17: trace = 4.290857263488306 (2.48179e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.290857263235813 (5.88445e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.290857263156709 (1.84354e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.290857263115525 (9.59807e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.290857263096176 (4.50935e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.290857263085615 (2.46136e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.290857263081678 (9.17394e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995
elapsed time for k point: 0.07683348655700684
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 4.213083007783039 (0.515635% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.209110336657865 (0.0943382% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.208519740783887 (0.0140324% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.208361881259739 (0.00375102% change)
linmin: converged after 9 iterations.
iteration 5: trace = 4.208319555170494 (0.00100577% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.208309586621548 (0.000236877% change)
linmin: converged after 20 iterations.
iteration 7: trace = 4.208308119593188 (3.48603e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.208307969493156 (3.56675e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.2083079596792 (2.33204e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.208307958636428 (2.47789e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.208307958537226 (2.35728e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.208307958520758 (3.91314e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.208307958519128 (3.87494e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959
elapsed time for k point: 0.044420480728149414
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.153950019179923 (0.446607% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.15091918802987 (0.0729893% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.15050869675084 (0.00988965% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.150451660631781 (0.00137421% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.150445322388979 (0.000152712% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.150444374952527 (2.28273e-05% change)
linmin: converged after 38 iterations.
iteration 7: trace = 4.150444119567911 (6.15319e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.150444028145889 (2.2027e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.150444017167716 (2.64506e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.150444015934402 (2.97152e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.150444015836717 (2.35361e-09% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.150444015829235 (1.8027e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.150444015828805 (1.03574e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025
elapsed time for k point: 0.044381141662597656
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.123910812539464 (0.437379% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.120357431810314 (0.0862025% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.11975343523068 (0.0146599% change)
linmin: converged after 12 iterations.
iteration 4: trace = 4.119635726773534 (0.00285721% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.119609536145701 (0.000635753% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.119601717815895 (0.000189783% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.119598937494709 (6.74901e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.119598626308932 (7.55379e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.119598600539519 (6.25532e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.119598598763422 (4.31134e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.119598598629699 (3.24603e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.119598598622139 (1.83496e-10% change)
linmin: converged after 9 iterations.
iteration 13: trace = 4.119598598621693 (1.08446e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269
elapsed time for k point: 0.044402360916137695
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.117165244646566 (0.467232% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.112183070107313 (0.121083% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.111188770166868 (0.0241823% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.110889360751742 (0.00728306% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.11080703996452 (0.00200253% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.110783674084841 (0.000568403% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.110777732801953 (0.000144529% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.110777279787365 (1.10202e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.110777245125225 (8.43202e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.110777242910481 (5.38765e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.110777242738061 (4.19433e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.110777242727878 (2.47714e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.110777242725122 (6.70437e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856
elapsed time for k point: 0.044219970703125
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.110059673681176 (0.898081% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.101196127928676 (0.215888% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.099627971489972 (0.0382439% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.099504340254176 (0.00301572% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.099491102143227 (0.00032292% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.099490015388635 (2.65095e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.099489970449423 (1.09621e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.09948996603966 (1.07569e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.099489964533704 (3.67352e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.099489964290493 (5.93271e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.099489964275826 (3.57785e-10% change)
linmin: converged after 16 iterations.
iteration 12: trace = 4.0994899642748 (2.50237e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714
elapsed time for k point: 0.04102349281311035
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.085144174621296 (0.762403% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.08011930367582 (0.123079% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.079494012385525 (0.0153265% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.079455619800634 (0.000941116% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.079453223619909 (5.87378e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.079452946245483 (6.7993e-06% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.07945290434498 (1.02711e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.079452897007465 (1.79865e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.079452895879314 (2.76545e-08% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.079452895806834 (1.7767e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.079452895803481 (8.21893e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395
elapsed time for k point: 0.03781414031982422
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.072736189550774 (0.634086% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.069415883231338 (0.0815584% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.068882752148268 (0.0131018% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.068777004347965 (0.00259897% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.068760919591241 (0.000395322% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.06875937327654 (3.80046e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.068759282973239 (2.21943e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.068759277104999 (1.44227e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.068759276275498 (2.03871e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.068759276139259 (3.34843e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.068759276129624 (2.36803e-10% change)
linmin: converged after 17 iterations.
iteration 12: trace = 4.068759276129136 (1.19842e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203
elapsed time for k point: 0.04095268249511719
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.08041013089164 (0.563614% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.077287055235417 (0.0765676% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.076189573111655 (0.0269206% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.075628903758915 (0.0137557% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.075534314324658 (0.00232088% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.075527488473313 (0.000167484% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.075526996525165 (1.20708e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.075526953563658 (1.05413e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.075526950544544 (7.40791e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.075526949795472 (1.83798e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.075526949476022 (7.83823e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.075526949369352 (2.61734e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.075526949350733 (4.56846e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.075526949349669 (2.6108e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273
elapsed time for k point: 0.047408342361450195
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.109437150043243 (0.504849% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.105335792815202 (0.0998532% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.100307330549152 (0.122561% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.093803283589705 (0.158749% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.092241780664407 (0.0381504% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.092157123982815 (0.00206873% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.092151257465511 (0.00014336% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.0921506669632 (1.44301e-05% change)
linmin: converged after 29 iterations.
iteration 9: trace = 4.092150601221075 (1.60654e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.092150512656763 (2.16425e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.09215044281785 (1.70666e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.092150434447509 (2.04546e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.092150433678662 (1.87883e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.092150433621977 (1.38522e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.092150433618236 (9.14191e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351
elapsed time for k point: 0.05085420608520508
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.126496078681969 (1.11623% change)
linmin: converged after 6 iterations.
iteration 2: trace = 4.089161341909401 (0.908868% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.060628566573646 (0.700209% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.050071416799578 (0.260326% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.047172154678076 (0.0716111% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.046719139224234 (0.011194% change)
linmin: converged after 11 iterations.
iteration 7: trace = 4.046656969292219 (0.00153632% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.046652828279984 (0.000102332% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.046652402979405 (1.05099e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.04665226257679 (3.4696e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.046652203574181 (1.45806e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.04665218541018 (4.48865e-07% change)
linmin: converged after 23 iterations.
iteration 13: trace = 4.046652183788301 (4.00795e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.046652183683065 (2.60056e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.046652183677345 (1.41348e-10% change)
linmin: converged after 16 iterations.
iteration 16: trace = 4.046652183676483 (2.1312e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991
elapsed time for k point: 0.05404210090637207
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.050135770394939 (0.874564% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.045155903188745 (0.123031% change)
linmin: converged after 7 iterations.
iteration 3: trace = 4.04457112881917 (0.0144572% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.044524919705128 (0.0011425% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.044514961032788 (0.000246226% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.044513397485701 (3.86585e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.04451325570943 (3.5054e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.044513238601187 (4.22999e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.044513236602917 (4.94069e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.044513236418492 (4.55988e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.044513236398149 (5.02974e-10% change)
linmin: converged after 7 iterations.
iteration 12: trace = 4.044513236396847 (3.21935e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446
elapsed time for k point: 0.04092144966125488
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.118867255840204 (0.847851% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.114002611070052 (0.118176% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.113487291394074 (0.0125268% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.113430197532734 (0.00138798% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.113416441704805 (0.000334413% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.113415367601677 (2.61122e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.113415271030414 (2.34771e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.113415260853634 (2.47405e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.113415259902214 (2.31297e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.113415259769443 (3.22776e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.113415259756536 (3.13778e-10% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.11341525975549 (2.54357e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551
elapsed time for k point: 0.0409088134765625
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.250028477177 (0.917879% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.242313588668811 (0.18169% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.241112167052032 (0.028324% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.240834092995955 (0.00655685% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.240767169311717 (0.00157809% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.240753129287403 (0.000331073% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.240750094772398 (7.15561e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.240749691476934 (9.51e-06% change)
linmin: converged after 33 iterations.
iteration 9: trace = 4.240749647343285 (1.0407e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.240749642492671 (1.14381e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.240749642080627 (9.71629e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.240749642034733 (1.08221e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.240749642029137 (1.31968e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.240749642028246 (2.10067e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882
elapsed time for k point: 0.047528982162475586
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.407939681690654 (1.14495% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.390606022122198 (0.394012% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.386367409936335 (0.0965848% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.384518225127845 (0.0421664% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.382809892382419 (0.0389704% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.380355369238089 (0.0560191% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.377811906462298 (0.0580821% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.375795817305982 (0.046063% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.374248315398593 (0.0353713% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.373812357837435 (0.00996695% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.373736281003573 (0.00173939% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.373725631015397 (0.000243499% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.373723713248079 (4.38475e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.373723043717632 (1.5308e-05% change)
linmin: converged after 9 iterations.
iteration 15: trace = 4.373722607982313 (9.96257e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.373722430078789 (4.06755e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.373722281618466 (3.39437e-06% change)
large trace change predicted (8.38717e-06%)
linmin: converged after 5 iterations.
iteration 18: trace = 4.373721914772871 (8.38749e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.373721775011068 (3.19549e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.373721750853678 (5.5233e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.373721743706459 (1.63413e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.373721741956021 (4.00217e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.373721741656272 (6.8534e-09% change)
linmin: converged after 6 iterations.
iteration 24: trace = 4.37372174151351 (3.26409e-09% change)
linmin: converged after 12 iterations.
iteration 25: trace = 4.373721741466444 (1.0761e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 4.373721741452075 (3.28549e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.373721741432764 (4.41518e-10% change)
large trace change predicted (8.94441e-10%)
linmin: converged after 10 iterations.
iteration 28: trace = 4.373721741393643 (8.94449e-10% change)
linmin: converged after 12 iterations.
iteration 29: trace = 4.373721741340017 (1.22611e-09% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.37372174131413 (5.91872e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 4.37372174130407 (2.29999e-10% change)
large trace change predicted (8.8515e-10%)
linmin: converged after 4 iterations.
iteration 32: trace = 4.373721741265362 (8.85026e-10% change)
large trace change predicted (1.78977e-09%)
linmin: converged after 3 iterations.
iteration 33: trace = 4.373721741187082 (1.78977e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 4.373721741036555 (3.44162e-09% change)
large trace change predicted (3.16488e-08%)
linmin: converged after 4 iterations.
iteration 35: trace = 4.373721739652334 (3.16486e-08% change)
large trace change predicted (1.81295e-07%)
linmin: converged after 4 iterations.
iteration 36: trace = 4.373721731723725 (1.81278e-07% change)
large trace change predicted (7.42215e-07%)
linmin: converged after 4 iterations.
iteration 37: trace = 4.373721699293694 (7.41474e-07% change)
large trace change predicted (1.81306e-06%)
linmin: converged after 7 iterations.
iteration 38: trace = 4.373721620557427 (1.80021e-06% change)
large trace change predicted (3.99382e-06%)
linmin: converged after 7 iterations.
iteration 39: trace = 4.373721449599707 (3.90875e-06% change)
linmin: converged after 16 iterations.
iteration 40: trace = 4.373721351488157 (2.24321e-06% change)
linmin: converged after 9 iterations.
iteration 41: trace = 4.373721289289993 (1.42209e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 4.373721192919876 (2.20339e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 4.373721122950544 (1.59977e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 4.37372102588002 (2.2194e-06% change)
linmin: converged after 6 iterations.
iteration 45: trace = 4.373720919585161 (2.43031e-06% change)
linmin: converged after 3 iterations.
iteration 46: trace = 4.373720871332154 (1.10325e-06% change)
linmin: converged after 10 iterations.
iteration 47: trace = 4.373720860378917 (2.50433e-07% change)
linmin: converged after 13 iterations.
iteration 48: trace = 4.373720857832792 (5.82142e-08% change)
linmin: converged after 8 iterations.
iteration 49: trace = 4.373720856551008 (2.93065e-08% change)
linmin: converged after 4 iterations.
iteration 50: trace = 4.373720854512562 (4.66067e-08% change)
linmin: converged after 5 iterations.
iteration 51: trace = 4.373720852662255 (4.23051e-08% change)
linmin: converged after 18 iterations.
iteration 52: trace = 4.373720851889837 (1.76604e-08% change)
linmin: converged after 7 iterations.
iteration 53: trace = 4.373720851692727 (4.50671e-09% change)
linmin: converged after 4 iterations.
iteration 54: trace = 4.373720851644104 (1.1117e-09% change)
linmin: converged after 4 iterations.
iteration 55: trace = 4.373720851631798 (2.81376e-10% change)
linmin: converged after 19 iterations.
iteration 56: trace = 4.37372085162005 (2.68603e-10% change)
linmin: converged after 28 iterations.
iteration 57: trace = 4.373720851604448 (3.56716e-10% change)
linmin: converged after 16 iterations.
iteration 58: trace = 4.373720851597927 (1.49095e-10% change)
linmin: converged after 16 iterations.
iteration 59: trace = 4.373720851594072 (8.81331e-11% change)
Finished solving for bands 2 to 8 after 59 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
elapsed time for k point: 0.15975499153137207
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0>
Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386%
Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893%
total elapsed time for run: 0.9829206466674805
done
Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941
FOutputting fields to /tmp/meepg15Lzl/test_output_efield_z-0-e.k16.b08.z.tm.h5...
/tmp/meepg15Lzl/test_output_efield_z-0: 0.99s
/tmp/meepg15Lzl/test_output_field_to_file-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013909339904785156
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14316320419311523
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39820051193237305
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08792257308959961
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08061480522155762
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09345531463623047
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14590191841125488
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.1102139949798584
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.0937502384185791
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08070731163024902
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07730507850646973
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07709693908691406
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06093597412109375
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.0708322525024414
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09711074829101562
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11330246925354004
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.25415658950805664
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9873180389404297
done
epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
.Outputting /tmp/meepg15Lzl/test_output_field_to_file-0-epsilon.h5...
/tmp/meepg15Lzl/test_output_field_to_file-0: 2.00s
/tmp/meepg15Lzl/test_output_tot_pwr-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.0013709068298339844
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14354729652404785
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.3998899459838867
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08794069290161133
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.0818016529083252
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.0964970588684082
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14873290061950684
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.11152839660644531
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09417486190795898
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08096647262573242
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07816672325134277
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07745957374572754
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06153368949890137
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07150936126708984
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.0974278450012207
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11374425888061523
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2550981044769287
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.002636671066284
done
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
B-energy-components:, 16, 8, 0, 0, 1
Outputting /tmp/meepg15Lzl/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/meepg15Lzl/test_output_tot_pwr-0: 2.01s
/tmp/meepg15Lzl/test_point_defect_state-0
========================
Initializing eigensolver data
Computing 50 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 10 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.03014349937438965
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...
near maximum in trace
linmin: converged after 12 iterations.
iteration 1: trace = 0.9773582023559163 (198.958% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.3161530410987907 (102.234% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.275770780541823 (13.6444% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.2578977888964539 (6.69816% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2538047517632808 (1.59977% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.252521666448504 (0.506821% change)
linmin: converged after 7 iterations.
iteration 7: trace = 0.2513324422133906 (0.472051% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.250524545611766 (0.321963% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2503563741415212 (0.0671503% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2503392642292798 (0.00683446% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.2503364696617258 (0.00111632% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.2503356979333106 (0.000308277% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.2503350629329613 (0.00025366% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.2503346861323358 (0.000150519% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.2503342765388505 (0.000163618% change)
large trace change predicted (0.000678429%)
linmin: converged after 5 iterations.
iteration 16: trace = 0.2503325842641612 (0.000676008% change)
large trace change predicted (0.00631306%)
linmin: converged after 5 iterations.
iteration 17: trace = 0.2503200648277745 (0.00500125% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.2503038592917609 (0.00647414% change)
linmin: converged after 5 iterations.
iteration 19: trace = 0.2502978020836445 (0.00241997% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.2502965572166423 (0.000497356% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.250295870716234 (0.000274275% change)
linmin: converged after 5 iterations.
iteration 22: trace = 0.2502955615722041 (0.000123512% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.2502955228253114 (1.54805e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.2502955176855845 (2.05346e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.2502955170624709 (2.48951e-07% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.250295516776108 (1.1441e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.2502955164556004 (1.28052e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.2502955162302424 (9.00368e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.2502955158423098 (1.5499e-07% change)
large trace change predicted (7.06242e-07%)
linmin: converged after 4 iterations.
iteration 30: trace = 0.2502955140746217 (7.0624e-07% change)
large trace change predicted (1.92421e-06%)
linmin: converged after 5 iterations.
iteration 31: trace = 0.2502955092582698 (1.92427e-06% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.2502955074678371 (7.15328e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.2502955071409597 (1.30597e-07% change)
linmin: converged after 5 iterations.
iteration 34: trace = 0.2502955070820969 (2.35173e-08% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.2502955070452446 (1.47235e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 0.2502955070312232 (5.60196e-09% change)
linmin: converged after 6 iterations.
iteration 37: trace = 0.2502955070289656 (9.01967e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.2502955070287197 (9.82274e-11% change)
Finished solving for bands 1 to 10 after 38 iterations.
Solving for bands 11 to 20...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 2.764077242282496 (197.059% change)
linmin: converged after 9 iterations.
iteration 2: trace = 0.7088244637206618 (118.359% change)
linmin: converged after 10 iterations.
iteration 3: trace = 0.5830461774916993 (19.4723% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.5699441115556886 (2.27271% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.5601912957140796 (1.72596% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.554977005635624 (0.935158% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.5536217797509715 (0.244493% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.5527881756235467 (0.150686% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.5525197785497575 (0.0485651% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.5524120847066949 (0.0194933% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.5523393402697568 (0.0131694% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.5523162607162734 (0.0041786% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.5523079347092207 (0.00150748% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.5523053045770734 (0.000476209% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.5523046348502885 (0.00012126% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.5523044939040401 (2.55197e-05% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.5523044363704386 (1.0417e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.5523044197503095 (3.00923e-06% change)
linmin: converged after 7 iterations.
iteration 19: trace = 0.5523044169604693 (5.05127e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.5523044161634481 (1.44308e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.5523044158163604 (6.28435e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.5523044156915484 (2.25984e-08% change)
linmin: converged after 8 iterations.
iteration 23: trace = 0.5523044156387963 (9.55128e-09% change)
linmin: converged after 9 iterations.
iteration 24: trace = 0.5523044156091683 (5.36443e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.5523044156002892 (1.60765e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.5523044155970435 (5.87672e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.5523044155956081 (2.59894e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 0.552304415595374 (4.23743e-11% change)
Finished solving for bands 11 to 20 after 28 iterations.
Solving for bands 21 to 30...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 5.040666553138821 (194.661% change)
linmin: converged after 9 iterations.
iteration 2: trace = 1.784736938401247 (95.4062% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.523333414368856 (15.804% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.441532080001039 (5.51805% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.405219437466541 (2.55116% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.388014989232303 (1.23187% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.376962867982376 (0.799437% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.37268195131882 (0.31138% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.370878341061495 (0.13148% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.370189509318599 (0.0502601% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.369866378231612 (0.0235857% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.369627804103043 (0.0174174% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.369391088200206 (0.0172847% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.369169936423073 (0.0161509% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.369039043718526 (0.00956046% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.36896709991595 (0.0052552% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.368919763117032 (0.00345791% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.368881565102084 (0.00279042% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.368847148217092 (0.00251427% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.368816057044509 (0.00227137% change)
linmin: converged after 7 iterations.
iteration 21: trace = 1.368795335803253 (0.00151382% change)
linmin: converged after 6 iterations.
iteration 22: trace = 1.368783116283498 (0.000892725% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.368774313878865 (0.000643085% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.36876702717065 (0.000532354% change)
linmin: converged after 7 iterations.
iteration 25: trace = 1.368760736433417 (0.000459593% change)
linmin: converged after 8 iterations.
iteration 26: trace = 1.368755530414703 (0.000380346% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.368752119509855 (0.000249198% change)
linmin: converged after 5 iterations.
iteration 28: trace = 1.368749700078314 (0.000176762% change)
linmin: converged after 13 iterations.
iteration 29: trace = 1.368747854834259 (0.000134812% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.368746241521253 (0.000117868% change)
linmin: converged after 5 iterations.
iteration 31: trace = 1.368745103675057 (8.31306e-05% change)
linmin: converged after 5 iterations.
iteration 32: trace = 1.368744406365467 (5.09452e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.368744106172826 (2.1932e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.36874397809044 (9.35766e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 1.368743922574262 (4.05599e-06% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.368743896765322 (1.88559e-06% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.368743884092236 (9.25892e-07% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.368743877674393 (4.68886e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.368743873564827 (3.00244e-07% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.368743870515095 (2.22812e-07% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.368743865625254 (3.5725e-07% change)
linmin: converged after 2 iterations.
iteration 42: trace = 1.368743856077474 (6.97558e-07% change)
linmin: converged after 5 iterations.
iteration 43: trace = 1.368743837481702 (1.3586e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 1.368743804106323 (2.43839e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 1.368743762212519 (3.06075e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 1.368743718468747 (3.19591e-06% change)
linmin: converged after 5 iterations.
iteration 47: trace = 1.368743667116035 (3.75181e-06% change)
linmin: converged after 5 iterations.
iteration 48: trace = 1.368743567909835 (7.24798e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 1.368743413508752 (1.12805e-05% change)
linmin: converged after 6 iterations.
iteration 50: trace = 1.368743170382022 (1.77628e-05% change)
linmin: converged after 6 iterations.
iteration 51: trace = 1.368742909640436 (1.90497e-05% change)
linmin: converged after 6 iterations.
iteration 52: trace = 1.368742678084064 (1.69174e-05% change)
linmin: converged after 7 iterations.
iteration 53: trace = 1.368742429352863 (1.81722e-05% change)
linmin: converged after 11 iterations.
iteration 54: trace = 1.368741979799262 (3.28443e-05% change)
large trace change predicted (7.74578e-05%)
linmin: converged after 5 iterations.
iteration 55: trace = 1.368740938896419 (7.60482e-05% change)
linmin: converged after 5 iterations.
iteration 56: trace = 1.368739090064356 (0.000135075% change)
linmin: converged after 8 iterations.
iteration 57: trace = 1.368737088985244 (0.000146199% change)
linmin: converged after 5 iterations.
iteration 58: trace = 1.368735675184446 (0.000103292% change)
linmin: converged after 8 iterations.
iteration 59: trace = 1.36873489139564 (5.72637e-05% change)
linmin: converged after 6 iterations.
iteration 60: trace = 1.368734383052895 (3.71396e-05% change)
linmin: converged after 5 iterations.
iteration 61: trace = 1.368733869799367 (3.74984e-05% change)
linmin: converged after 7 iterations.
iteration 62: trace = 1.368733229784598 (4.67596e-05% change)
linmin: converged after 6 iterations.
iteration 63: trace = 1.368732612888608 (4.50706e-05% change)
linmin: converged after 5 iterations.
iteration 64: trace = 1.368732103624983 (3.7207e-05% change)
linmin: converged after 9 iterations.
iteration 65: trace = 1.36873178435718 (2.33258e-05% change)
linmin: converged after 5 iterations.
iteration 66: trace = 1.368731593555578 (1.394e-05% change)
linmin: converged after 6 iterations.
iteration 67: trace = 1.368731481643516 (8.17633e-06% change)
linmin: converged after 5 iterations.
iteration 68: trace = 1.368731406757154 (5.47122e-06% change)
linmin: converged after 5 iterations.
iteration 69: trace = 1.368731346620766 (4.39359e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 1.368731326396683 (1.47758e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 1.368731305812751 (1.50387e-06% change)
linmin: converged after 3 iterations.
iteration 72: trace = 1.368731292685496 (9.59082e-07% change)
linmin: converged after 6 iterations.
iteration 73: trace = 1.368731274190961 (1.35122e-06% change)
linmin: converged after 2 iterations.
iteration 74: trace = 1.36873124683439 (1.99868e-06% change)
linmin: converged after 2 iterations.
iteration 75: trace = 1.368731222076538 (1.80882e-06% change)
linmin: converged after 4 iterations.
iteration 76: trace = 1.368731209365183 (9.28696e-07% change)
linmin: converged after 2 iterations.
iteration 77: trace = 1.368731204980154 (3.20372e-07% change)
linmin: converged after 2 iterations.
iteration 78: trace = 1.368731202164322 (2.05726e-07% change)
linmin: converged after 3 iterations.
iteration 79: trace = 1.368731199544978 (1.9137e-07% change)
linmin: converged after 2 iterations.
iteration 80: trace = 1.368731196862976 (1.95948e-07% change)
linmin: converged after 2 iterations.
iteration 81: trace = 1.368731195121577 (1.27227e-07% change)
linmin: converged after 2 iterations.
iteration 82: trace = 1.368731194394966 (5.30864e-08% change)
linmin: converged after 2 iterations.
iteration 83: trace = 1.368731194038443 (2.60477e-08% change)
linmin: converged after 3 iterations.
iteration 84: trace = 1.368731193798584 (1.75242e-08% change)
linmin: converged after 2 iterations.
iteration 85: trace = 1.368731193444766 (2.58501e-08% change)
linmin: converged after 2 iterations.
iteration 86: trace = 1.368731192939273 (3.69315e-08% change)
linmin: converged after 2 iterations.
iteration 87: trace = 1.368731192445322 (3.60883e-08% change)
linmin: converged after 3 iterations.
iteration 88: trace = 1.368731191973515 (3.44704e-08% change)
linmin: converged after 3 iterations.
iteration 89: trace = 1.3687311914594 (3.75614e-08% change)
linmin: converged after 4 iterations.
iteration 90: trace = 1.368731190769489 (5.04052e-08% change)
linmin: converged after 2 iterations.
iteration 91: trace = 1.368731189492628 (9.32879e-08% change)
linmin: converged after 3 iterations.
iteration 92: trace = 1.368731187985266 (1.10128e-07% change)
linmin: converged after 3 iterations.
iteration 93: trace = 1.368731186086125 (1.38752e-07% change)
linmin: converged after 6 iterations.
iteration 94: trace = 1.36873118302204 (2.23863e-07% change)
linmin: converged after 4 iterations.
iteration 95: trace = 1.368731177617109 (3.94886e-07% change)
large trace change predicted (9.62764e-07%)
linmin: converged after 16 iterations.
iteration 96: trace = 1.368731164440175 (9.62712e-07% change)
large trace change predicted (1.97299e-06%)
linmin: converged after 4 iterations.
iteration 97: trace = 1.36873113743805 (1.97279e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 1.368731113438422 (1.75342e-06% change)
linmin: converged after 5 iterations.
iteration 99: trace = 1.368731088527767 (1.81998e-06% change)
linmin: converged after 6 iterations.
iteration 100: trace = 1.368731069143642 (1.41621e-06% change)
linmin: converged after 4 iterations.
iteration 101: trace = 1.368731058828905 (7.53599e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 1.368731053231001 (4.08985e-07% change)
linmin: converged after 14 iterations.
iteration 103: trace = 1.368731050633044 (1.89808e-07% change)
linmin: converged after 4 iterations.
iteration 104: trace = 1.368731049719111 (6.67723e-08% change)
linmin: converged after 4 iterations.
iteration 105: trace = 1.368731049381032 (2.47002e-08% change)
linmin: converged after 4 iterations.
iteration 106: trace = 1.368731049212438 (1.23175e-08% change)
linmin: converged after 4 iterations.
iteration 107: trace = 1.368731049112461 (7.30433e-09% change)
linmin: converged after 5 iterations.
iteration 108: trace = 1.368731049041643 (5.17401e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 1.368731048989907 (3.77985e-09% change)
linmin: converged after 5 iterations.
iteration 110: trace = 1.368731048949556 (2.94805e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 1.368731048927728 (1.59475e-09% change)
linmin: converged after 7 iterations.
iteration 112: trace = 1.368731048915437 (8.98038e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 1.368731048898766 (1.21795e-09% change)
linmin: converged after 5 iterations.
iteration 114: trace = 1.368731048867242 (2.3032e-09% change)
large trace change predicted (6.63169e-09%)
linmin: converged after 4 iterations.
iteration 115: trace = 1.368731048776475 (6.63145e-09% change)
large trace change predicted (2.53819e-08%)
linmin: converged after 4 iterations.
iteration 116: trace = 1.368731048429068 (2.53817e-08% change)
large trace change predicted (6.62506e-08%)
linmin: converged after 7 iterations.
iteration 117: trace = 1.368731047522245 (6.62528e-08% change)
linmin: converged after 5 iterations.
iteration 118: trace = 1.368731045910584 (1.17749e-07% change)
linmin: converged after 5 iterations.
iteration 119: trace = 1.368731044212744 (1.24045e-07% change)
linmin: converged after 4 iterations.
iteration 120: trace = 1.368731043116591 (8.00853e-08% change)
linmin: converged after 4 iterations.
iteration 121: trace = 1.368731041987232 (8.25114e-08% change)
large trace change predicted (1.95931e-07%)
linmin: converged after 7 iterations.
iteration 122: trace = 1.368731039305491 (1.95929e-07% change)
large trace change predicted (5.72233e-07%)
linmin: converged after 5 iterations.
iteration 123: trace = 1.368731031475412 (5.72069e-07% change)
large trace change predicted (1.3697e-06%)
linmin: converged after 5 iterations.
iteration 124: trace = 1.368731012741541 (1.3687e-06% change)
linmin: converged after 6 iterations.
iteration 125: trace = 1.368730990264535 (1.64218e-06% change)
linmin: converged after 8 iterations.
iteration 126: trace = 1.368730976167249 (1.02995e-06% change)
linmin: converged after 5 iterations.
iteration 127: trace = 1.368730969434909 (4.91867e-07% change)
linmin: converged after 5 iterations.
iteration 128: trace = 1.368730962738434 (4.89247e-07% change)
large trace change predicted (1.0363e-06%)
linmin: converged after 5 iterations.
iteration 129: trace = 1.368730948542338 (1.03717e-06% change)
large trace change predicted (2.09757e-06%)
linmin: converged after 5 iterations.
iteration 130: trace = 1.368730919747172 (2.10379e-06% change)
linmin: converged after 5 iterations.
iteration 131: trace = 1.368730881719372 (2.77833e-06% change)
linmin: converged after 6 iterations.
iteration 132: trace = 1.368730850739533 (2.2634e-06% change)
linmin: converged after 5 iterations.
iteration 133: trace = 1.368730836018361 (1.07553e-06% change)
linmin: converged after 6 iterations.
iteration 134: trace = 1.368730830348684 (4.14229e-07% change)
linmin: converged after 3 iterations.
iteration 135: trace = 1.36873082685028 (2.55595e-07% change)
linmin: converged after 4 iterations.
iteration 136: trace = 1.368730824073477 (2.02874e-07% change)
linmin: converged after 5 iterations.
iteration 137: trace = 1.368730822419339 (1.20852e-07% change)
linmin: converged after 4 iterations.
iteration 138: trace = 1.368730821974349 (3.25111e-08% change)
linmin: converged after 5 iterations.
iteration 139: trace = 1.368730821797337 (1.29325e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 140: trace = 1.36873082173381 (4.64129e-09% change)
linmin: converged after 2 iterations.
iteration 141: trace = 1.368730821659028 (5.46361e-09% change)
linmin: converged after 12 iterations.
iteration 142: trace = 1.368730821514677 (1.05463e-08% change)
linmin: converged after 2 iterations.
iteration 143: trace = 1.36873082127949 (1.71829e-08% change)
linmin: converged after 2 iterations.
iteration 144: trace = 1.368730821006482 (1.9946e-08% change)
linmin: converged after 2 iterations.
iteration 145: trace = 1.368730820791103 (1.57356e-08% change)
linmin: converged after 3 iterations.
iteration 146: trace = 1.368730820664076 (9.28066e-09% change)
linmin: converged after 3 iterations.
iteration 147: trace = 1.368730820561719 (7.47823e-09% change)
linmin: converged after 2 iterations.
iteration 148: trace = 1.368730820423973 (1.00638e-08% change)
linmin: converged after 2 iterations.
iteration 149: trace = 1.368730820282637 (1.0326e-08% change)
linmin: converged after 6 iterations.
iteration 150: trace = 1.368730820163353 (8.71496e-09% change)
linmin: converged after 2 iterations.
iteration 151: trace = 1.368730820033991 (9.45121e-09% change)
large trace change predicted (1.90732e-08%)
linmin: converged after 2 iterations.
iteration 152: trace = 1.368730819772934 (1.90729e-08% change)
linmin: converged after 2 iterations.
iteration 153: trace = 1.368730819301536 (3.44406e-08% change)
linmin: converged after 4 iterations.
iteration 154: trace = 1.368730818650667 (4.75527e-08% change)
linmin: converged after 2 iterations.
iteration 155: trace = 1.368730817733782 (6.6988e-08% change)
linmin: converged after 8 iterations.
iteration 156: trace = 1.368730816601199 (8.27469e-08% change)
linmin: converged after 4 iterations.
iteration 157: trace = 1.368730814812392 (1.30691e-07% change)
linmin: converged after 4 iterations.
iteration 158: trace = 1.368730811403355 (2.49066e-07% change)
linmin: converged after 7 iterations.
iteration 159: trace = 1.368730806806086 (3.35878e-07% change)
linmin: converged after 8 iterations.
iteration 160: trace = 1.368730803017133 (2.76822e-07% change)
linmin: converged after 3 iterations.
iteration 161: trace = 1.368730799847216 (2.31595e-07% change)
linmin: converged after 11 iterations.
iteration 162: trace = 1.368730796328044 (2.57112e-07% change)
linmin: converged after 8 iterations.
iteration 163: trace = 1.368730793064505 (2.38435e-07% change)
linmin: converged after 5 iterations.
iteration 164: trace = 1.368730790362386 (1.97418e-07% change)
linmin: converged after 3 iterations.
iteration 165: trace = 1.36873078878541 (1.15214e-07% change)
linmin: converged after 5 iterations.
iteration 166: trace = 1.368730787826099 (7.00877e-08% change)
linmin: converged after 7 iterations.
iteration 167: trace = 1.368730787041913 (5.7293e-08% change)
linmin: converged after 5 iterations.
iteration 168: trace = 1.368730786327404 (5.22023e-08% change)
linmin: converged after 10 iterations.
iteration 169: trace = 1.368730785825024 (3.6704e-08% change)
linmin: converged after 4 iterations.
iteration 170: trace = 1.368730785560769 (1.93066e-08% change)
linmin: converged after 4 iterations.
iteration 171: trace = 1.368730785470285 (6.6108e-09% change)
linmin: converged after 5 iterations.
iteration 172: trace = 1.368730785440339 (2.18785e-09% change)
linmin: converged after 6 iterations.
iteration 173: trace = 1.368730785430635 (7.08963e-10% change)
linmin: converged after 3 iterations.
iteration 174: trace = 1.368730785427708 (2.13912e-10% change)
linmin: converged after 4 iterations.
iteration 175: trace = 1.368730785426833 (6.38849e-11% change)
Finished solving for bands 21 to 30 after 175 iterations.
Solving for bands 31 to 40...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 7.230106530170506 (192.441% change)
linmin: converged after 11 iterations.
iteration 2: trace = 2.817364100690525 (87.8379% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.383772433885725 (16.673% change)
linmin: converged after 6 iterations.
iteration 4: trace = 2.264181950333428 (5.14594% change)
linmin: converged after 12 iterations.
iteration 5: trace = 2.205266188017869 (2.63638% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.183248748637495 (1.00341% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.173760375776314 (0.435545% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.167774122084664 (0.275767% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.16358040199555 (0.193645% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.159739056009329 (0.177704% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.15702209476702 (0.12588% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.155362898862326 (0.0769503% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.154174696420811 (0.0551429% change)
linmin: converged after 5 iterations.
iteration 14: trace = 2.153097711184035 (0.0500078% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.152356411443999 (0.0344354% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.151804495845252 (0.0256457% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.151338212081666 (0.0216718% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.151061653838748 (0.012856% change)
linmin: converged after 5 iterations.
iteration 19: trace = 2.150823283589471 (0.0110821% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.150656546131968 (0.00775256% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.150547247757261 (0.00508222% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.150480111512736 (0.00312187% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.150447077012171 (0.00153616% change)
linmin: converged after 5 iterations.
iteration 24: trace = 2.150426791487532 (0.000943321% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.150415527122207 (0.000523821% change)
linmin: converged after 5 iterations.
iteration 26: trace = 2.150409797922104 (0.000266423% change)
linmin: converged after 5 iterations.
iteration 27: trace = 2.150405288663566 (0.000209693% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.15040214025945 (0.00014641% change)
linmin: converged after 5 iterations.
iteration 29: trace = 2.150399521550649 (0.000121778% change)
linmin: converged after 6 iterations.
iteration 30: trace = 2.150396649501039 (0.000133559% change)
linmin: converged after 6 iterations.
iteration 31: trace = 2.150393098810755 (0.000165118% change)
linmin: converged after 6 iterations.
iteration 32: trace = 2.150387654321853 (0.000253186% change)
linmin: converged after 7 iterations.
iteration 33: trace = 2.150380790837795 (0.000319175% change)
linmin: converged after 5 iterations.
iteration 34: trace = 2.150373779095473 (0.00032607% change)
linmin: converged after 6 iterations.
iteration 35: trace = 2.150366763997729 (0.000326227% change)
linmin: converged after 5 iterations.
iteration 36: trace = 2.150359396527598 (0.000342615% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.150351903227359 (0.000348468% change)
linmin: converged after 5 iterations.
iteration 38: trace = 2.150343144221984 (0.00040733% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.150335244258529 (0.000367382% change)
linmin: converged after 6 iterations.
iteration 40: trace = 2.150328828056092 (0.000298382% change)
linmin: converged after 6 iterations.
iteration 41: trace = 2.150323123346729 (0.000265295% change)
linmin: converged after 4 iterations.
iteration 42: trace = 2.150319840811106 (0.000152653% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.150317369675977 (0.000114919% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.150315485730016 (8.76125e-05% change)
linmin: converged after 4 iterations.
iteration 45: trace = 2.150314485092851 (4.65344e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.150313850319529 (2.952e-05% change)
linmin: converged after 5 iterations.
iteration 47: trace = 2.150313567745016 (1.31411e-05% change)
linmin: converged after 5 iterations.
iteration 48: trace = 2.150313402387604 (7.68992e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 2.150313290592575 (5.19901e-06% change)
linmin: converged after 6 iterations.
iteration 50: trace = 2.150313233309788 (2.66393e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 2.150313205104017 (1.31171e-06% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.150313191063011 (6.52975e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.15031318315574 (3.67726e-07% change)
linmin: converged after 4 iterations.
iteration 54: trace = 2.150313178005872 (2.39494e-07% change)
linmin: converged after 2 iterations.
iteration 55: trace = 2.15031317468392 (1.54487e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.15031317298649 (7.89387e-08% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.150313171839945 (5.33199e-08% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.150313171038808 (3.72568e-08% change)
linmin: converged after 2 iterations.
iteration 59: trace = 2.150313170618584 (1.95424e-08% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.150313170310127 (1.43447e-08% change)
linmin: converged after 2 iterations.
iteration 61: trace = 2.15031317007892 (1.07523e-08% change)
linmin: converged after 2 iterations.
iteration 62: trace = 2.150313169876843 (9.39756e-09% change)
linmin: converged after 3 iterations.
iteration 63: trace = 2.150313169681186 (9.09903e-09% change)
linmin: converged after 8 iterations.
iteration 64: trace = 2.15031316952697 (7.17178e-09% change)
linmin: converged after 2 iterations.
iteration 65: trace = 2.150313169349206 (8.26689e-09% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.150313169164314 (8.59838e-09% change)
linmin: converged after 2 iterations.
iteration 67: trace = 2.150313168971394 (8.97169e-09% change)
linmin: converged after 5 iterations.
iteration 68: trace = 2.150313168726532 (1.13873e-08% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.150313168487834 (1.11006e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.150313168383634 (4.84582e-09% change)
linmin: converged after 2 iterations.
iteration 71: trace = 2.150313168199778 (8.5502e-09% change)
linmin: converged after 5 iterations.
iteration 72: trace = 2.150313168067435 (6.15461e-09% change)
linmin: converged after 2 iterations.
iteration 73: trace = 2.150313167954971 (5.23009e-09% change)
linmin: converged after 2 iterations.
iteration 74: trace = 2.150313167848819 (4.9366e-09% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.150313167774826 (3.44105e-09% change)
linmin: converged after 2 iterations.
iteration 76: trace = 2.150313167690865 (3.90457e-09% change)
linmin: converged after 2 iterations.
iteration 77: trace = 2.150313167606671 (3.91543e-09% change)
linmin: converged after 2 iterations.
iteration 78: trace = 2.150313167537179 (3.23173e-09% change)
linmin: converged after 2 iterations.
iteration 79: trace = 2.150313167461771 (3.50684e-09% change)
linmin: converged after 4 iterations.
iteration 80: trace = 2.150313167391707 (3.25831e-09% change)
linmin: converged after 2 iterations.
iteration 81: trace = 2.150313167302679 (4.14023e-09% change)
linmin: converged after 2 iterations.
iteration 82: trace = 2.150313167174394 (5.96587e-09% change)
linmin: converged after 2 iterations.
iteration 83: trace = 2.150313167057197 (5.45023e-09% change)
linmin: converged after 2 iterations.
iteration 84: trace = 2.150313166919648 (6.39672e-09% change)
linmin: converged after 2 iterations.
iteration 85: trace = 2.150313166760828 (7.38586e-09% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.150313166660208 (4.67932e-09% change)
linmin: converged after 4 iterations.
iteration 87: trace = 2.150313166582061 (3.63425e-09% change)
linmin: converged after 6 iterations.
iteration 88: trace = 2.15031316651592 (3.07587e-09% change)
linmin: converged after 5 iterations.
iteration 89: trace = 2.150313166475563 (1.87678e-09% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.150313166453092 (1.04503e-09% change)
linmin: converged after 4 iterations.
iteration 91: trace = 2.150313166442374 (4.98443e-10% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.150313166436357 (2.79818e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 2.150313166432015 (2.01938e-10% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.150313166429914 (9.76854e-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 10 iterations.
iteration 1: trace = 8.54561533283516 (191.103% change)
linmin: converged after 9 iterations.
iteration 2: trace = 3.261177039207398 (89.5152% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.73543054489073 (17.5348% change)
linmin: converged after 6 iterations.
iteration 4: trace = 2.599623148721098 (5.09114% change)
linmin: converged after 10 iterations.
iteration 5: trace = 2.527777747030367 (2.80241% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.48697195409586 (1.62743% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.468814609174601 (0.732773% change)
linmin: converged after 7 iterations.
iteration 8: trace = 2.458529975618113 (0.417451% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.452010579592671 (0.265527% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.44695192498564 (0.206519% change)
linmin: converged after 5 iterations.
iteration 11: trace = 2.443000266960076 (0.161624% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.440801969572049 (0.090024% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.439651933403517 (0.0471282% change)
linmin: converged after 5 iterations.
iteration 14: trace = 2.438794406518084 (0.0351557% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.438022839070599 (0.0316423% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.43731423966883 (0.0290687% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.436427459297366 (0.0363901% change)
linmin: converged after 5 iterations.
iteration 18: trace = 2.435606085478923 (0.0337179% change)
linmin: converged after 5 iterations.
iteration 19: trace = 2.435080538992132 (0.02158% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.434730917248482 (0.0143587% change)
linmin: converged after 5 iterations.
iteration 21: trace = 2.434515499878323 (0.00884808% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.434390164757964 (0.00514839% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.434289948271563 (0.00411678% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.43421517112559 (0.00307187% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.434151151333727 (0.00263003% change)
linmin: converged after 5 iterations.
iteration 26: trace = 2.434099390081217 (0.00212648% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.434069521772944 (0.00122709% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.434051894882334 (0.000724176% change)
linmin: converged after 6 iterations.
iteration 29: trace = 2.434040921125313 (0.000450844% change)
linmin: converged after 5 iterations.
iteration 30: trace = 2.434034872446438 (0.000248504% change)
linmin: converged after 6 iterations.
iteration 31: trace = 2.4340311347368 (0.00015356% change)
linmin: converged after 5 iterations.
iteration 32: trace = 2.434028967791745 (8.9027e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 2.434027725438828 (5.1041e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 2.434026886621372 (3.44621e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 2.434026138719075 (3.0727e-05% change)
linmin: converged after 5 iterations.
iteration 36: trace = 2.434025450962204 (2.82559e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 2.434024951067755 (2.05378e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 2.434024674081352 (1.13798e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.434024546245138 (5.25205e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 2.43402447271568 (3.0209e-06% change)
linmin: converged after 2 iterations.
iteration 41: trace = 2.43402442264887 (2.05696e-06% change)
linmin: converged after 16 iterations.
iteration 42: trace = 2.434024388303356 (1.41106e-06% change)
linmin: converged after 2 iterations.
iteration 43: trace = 2.434024363248842 (1.02935e-06% change)
linmin: converged after 2 iterations.
iteration 44: trace = 2.434024345054834 (7.47487e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 2.434024334364265 (4.39214e-07% change)
linmin: converged after 6 iterations.
iteration 46: trace = 2.434024326949267 (3.04639e-07% change)
linmin: converged after 2 iterations.
iteration 47: trace = 2.434024320899892 (2.48534e-07% change)
linmin: converged after 2 iterations.
iteration 48: trace = 2.434024317216973 (1.5131e-07% change)
linmin: converged after 2 iterations.
iteration 49: trace = 2.434024315167457 (8.42028e-08% change)
linmin: converged after 2 iterations.
iteration 50: trace = 2.434024314139083 (4.225e-08% change)
linmin: converged after 2 iterations.
iteration 51: trace = 2.434024313590412 (2.25417e-08% change)
linmin: converged after 2 iterations.
iteration 52: trace = 2.434024313235237 (1.45921e-08% change)
linmin: converged after 2 iterations.
iteration 53: trace = 2.434024312972156 (1.08085e-08% change)
linmin: converged after 2 iterations.
iteration 54: trace = 2.434024312720115 (1.03549e-08% change)
linmin: converged after 2 iterations.
iteration 55: trace = 2.434024312512642 (8.52389e-09% change)
linmin: converged after 2 iterations.
iteration 56: trace = 2.434024312381686 (5.38021e-09% change)
linmin: converged after 5 iterations.
iteration 57: trace = 2.434024312305557 (3.1277e-09% change)
linmin: converged after 5 iterations.
iteration 58: trace = 2.43402431226277 (1.75786e-09% change)
linmin: converged after 5 iterations.
iteration 59: trace = 2.434024312237418 (1.04159e-09% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.434024312222994 (5.926e-10% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.434024312214691 (3.4111e-10% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.434024312208376 (2.59427e-10% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.434024312203916 (1.83253e-10% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.434024312200633 (1.34886e-10% change)
linmin: converged after 3 iterations.
iteration 65: trace = 2.434024312198264 (9.73374e-11% change)
Finished solving for bands 41 to 50 after 65 iterations.
Finished k-point with 80 mean iterations/band.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273
elapsed time for k point: 32.75074601173401
total elapsed time for run: 32.78105568885803
done
Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569
Outputting fields to /tmp/meepg15Lzl/test_point_defect_state-0-e.k01.b25.z.tm.h5...
Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563
D-energy-components:, 1, 25, 0, 0, 1
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.0065724849700927734
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 = 0.01396094212364524 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01328122170995298 (4.99021% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.01312125250459154 (1.21177% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 4: trace = 0.01191112086656919 (9.66853% change)
linmin: converged after 9 iterations.
iteration 5: trace = 0.0110030162695962 (7.92615% change)
linmin: converged after 7 iterations.
iteration 6: trace = 0.01029304179290455 (6.66766% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.0101531458712683 (1.36843% change)
large trace change predicted (3.83569%)
linmin: converged after 8 iterations.
iteration 8: trace = 0.009161074295762101 (10.273% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008800132157818467 (4.01913% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.008721130039205466 (0.901786% change)
large trace change predicted (5.14951%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007755074091853987 (11.7267% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007567651738028323 (2.44633% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.00744432729098274 (1.64301% change)
large trace change predicted (3.47332%)
linmin: converged after 6 iterations.
iteration 14: trace = 0.006982846082473489 (6.39739% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.006885117068908677 (1.40942% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.006706744046671679 (2.6247% change)
large trace change predicted (6.61768%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.005943992996928429 (12.0586% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.005764800011462347 (3.06083% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.005733187549096868 (0.549878% change)
large trace change predicted (3.92338%)
linmin: converged after 5 iterations.
iteration 20: trace = 0.005437578168133488 (5.29255% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.005065994952417877 (7.07537% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.004980329233775762 (1.70541% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.004799389227541902 (3.70031% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.004290565557764014 (11.1953% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.004129783466733805 (3.81889% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.004098164734631855 (0.768569% change)
large trace change predicted (2.30942%)
linmin: converged after 4 iterations.
iteration 27: trace = 0.003988836574243196 (2.7038% change)
large trace change predicted (5.91726%)
linmin: converged after 6 iterations.
iteration 28: trace = 0.003638194884514588 (9.19471% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.003465126406214108 (4.87289% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.003391039545076355 (2.16117% change)
large trace change predicted (5.05382%)
linmin: converged after 5 iterations.
iteration 31: trace = 0.003180940877716805 (6.39377% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.002877900209262322 (10.0033% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.002790051991039538 (3.09982% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.002766730330194419 (0.839394% change)
large trace change predicted (1.83716%)
linmin: converged after 3 iterations.
iteration 35: trace = 0.002712677849314165 (1.97293% change)
large trace change predicted (6.51997%)
linmin: converged after 5 iterations.
iteration 36: trace = 0.002489458767243676 (8.58182% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.002278426018734292 (8.85226% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.002210940775452601 (3.00645% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.002159482749761328 (2.35483% change)
large trace change predicted (5.04213%)
linmin: converged after 4 iterations.
iteration 40: trace = 0.00203481187534167 (5.94478% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.001904048309856952 (6.63967% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.00185832050557658 (2.4308% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001833707942128221 (1.33328% change)
large trace change predicted (2.94396%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001775450547252923 (3.22831% change)
linmin: converged after 5 iterations.
iteration 45: trace = 0.001644503970627782 (7.6578% change)
linmin: converged after 4 iterations.
iteration 46: trace = 0.001555689303286632 (5.55058% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.001524235618688454 (2.0425% change)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001497778457823109 (1.75096% change)
large trace change predicted (4.11787%)
linmin: converged after 4 iterations.
iteration 49: trace = 0.001431456499506636 (4.52828% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.001319832847711346 (8.11428% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.001256207645533782 (4.93977% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.001230391786619745 (2.0764% change)
linmin: converged after 3 iterations.
iteration 53: trace = 0.001203986363794925 (2.16938% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.00115248694587591 (4.37089% change)
linmin: converged after 3 iterations.
iteration 55: trace = 0.001100112377774731 (4.65015% change)
linmin: converged after 3 iterations.
iteration 56: trace = 0.001077292856449817 (2.09603% change)
linmin: converged after 4 iterations.
iteration 57: trace = 0.001065332550532409 (1.11642% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.001045132371032226 (1.91429% change)
large trace change predicted (5.01463%)
linmin: converged after 3 iterations.
iteration 59: trace = 0.0009893701148277678 (5.48166% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0009134884174844436 (7.97555% change)
linmin: converged after 3 iterations.
iteration 61: trace = 0.000874757439243248 (4.33173% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0008583544664514737 (1.89289% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0008424113279837489 (1.87482% change)
linmin: converged after 3 iterations.
iteration 64: trace = 0.0008152380190685438 (3.27854% change)
linmin: converged after 3 iterations.
iteration 65: trace = 0.0007878477213842137 (3.4172% change)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0007745627298126695 (1.70058% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000767219441475719 (0.952571% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0007562123535870173 (1.44504% change)
large trace change predicted (3.45965%)
linmin: converged after 3 iterations.
iteration 69: trace = 0.0007292232467670601 (3.63383% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007201718792198771 (1.24899% change)
large trace change predicted (5.3862%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006820040602905039 (5.44408% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006742704219718236 (1.14042% change)
large trace change predicted (28.309%)
linmin: converged after 4 iterations.
iteration 73: trace = 0.0005003027046157548 (29.6223% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0004903658432335563 (2.00609% change)
large trace change predicted (6.19981%)
linmin: converged after 4 iterations.
iteration 75: trace = 0.0004599272313909961 (6.40615% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.0004555356679372165 (0.959419% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.0004549395880423197 (0.130938% change)
large trace change predicted (0.67778%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0004518602131959129 (0.679174% change)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0004469389668073831 (1.09507% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0004430305337104067 (0.87833% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0004426074244622806 (0.095549% change)
large trace change predicted (1.38401%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0004365008038963863 (1.38928% change)
linmin: converged after 2 iterations.
iteration 83: trace = 0.000435791942494028 (0.162528% change)
large trace change predicted (0.763752%)
linmin: converged after 4 iterations.
iteration 84: trace = 0.000432462329684045 (0.766967% change)
linmin: converged after 2 iterations.
iteration 85: trace = 0.0004322890730210272 (0.0400709% change)
large trace change predicted (1.24372%)
linmin: converged after 4 iterations.
iteration 86: trace = 0.0004268775599662793 (1.25971% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.0004264886192328498 (0.0911545% change)
large trace change predicted (0.708716%)
linmin: converged after 4 iterations.
iteration 88: trace = 0.000423453578635157 (0.714176% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0004232426025476582 (0.0498351% change)
large trace change predicted (0.349643%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.000421757921823284 (0.351404% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0004207658762294467 (0.235494% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0004196438052718286 (0.26703% change)
linmin: converged after 4 iterations.
iteration 93: trace = 0.0004186306122548561 (0.241733% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0004184953845214169 (0.0323076% change)
large trace change predicted (0.125504%)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0004179692102365137 (0.125809% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0004174146479140429 (0.132768% change)
linmin: converged after 4 iterations.
iteration 97: trace = 0.0004169210654538547 (0.118317% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0004168953517182827 (0.00616772% change)
large trace change predicted (0.194111%)
linmin: converged after 4 iterations.
iteration 99: trace = 0.0004160835437604056 (0.194917% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0004159547361075745 (0.030962% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0004157198047469032 (0.056496% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0004156861672964403 (0.0080917% change)
large trace change predicted (0.161367%)
linmin: converged after 3 iterations.
iteration 103: trace = 0.000415015769837011 (0.161405% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0004149907927671911 (0.00601852% change)
large trace change predicted (0.0549512%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0004147628361953296 (0.0549456% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0004147394187770554 (0.00564614% change)
large trace change predicted (0.0338927%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0004145988939304534 (0.0338884% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0004145923269721607 (0.00158394% change)
large trace change predicted (0.0368809%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0004144394958770213 (0.0368698% change)
linmin: converged after 3 iterations.
iteration 110: trace = 0.0004143662526280264 (0.0176744% change)
linmin: converged after 3 iterations.
iteration 111: trace = 0.000414300372581812 (0.0159003% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0004142972990238712 (0.00074187% change)
large trace change predicted (0.0409684%)
linmin: converged after 3 iterations.
iteration 113: trace = 0.0004141279401081156 (0.040887% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0004141257883983192 (0.000519577% change)
large trace change predicted (0.00468264%)
linmin: converged after 3 iterations.
iteration 115: trace = 0.0004141063987592697 (0.00468217% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.000414104237397629 (0.000521935% change)
large trace change predicted (0.0181301%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0004140291493238772 (0.0181343% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0004140277758299471 (0.000331739% change)
large trace change predicted (0.00913413%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0004139899443903279 (0.00913783% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0004139873450954302 (0.000627866% change)
large trace change predicted (0.00364927%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0004139722345024138 (0.00365008% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0004139689703828329 (0.000788491% change)
large trace change predicted (0.00587122%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0004139446555727229 (0.00587376% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0004139442371795921 (0.000101075% change)
large trace change predicted (0.000893308%)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0004139405390507014 (0.000893392% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0004139381541907386 (0.000576138% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0004139350539578887 (0.000748963% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change)
large trace change predicted (0.000511257%)
linmin: converged after 2 iterations.
iteration 129: trace = 0.000413932810794674 (0.000511317% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0004139318232519382 (0.000238576% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0004139304983427008 (0.00032008% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change)
large trace change predicted (0.000339426%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0004139290212288972 (0.000339456% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change)
large trace change predicted (0.000224737%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0004139279391436693 (0.000224744% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0004139270056153959 (0.000225529% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0004139264559419639 (0.000132795% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change)
large trace change predicted (7.61596e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.000413926105533619 (7.61595e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change)
large trace change predicted (7.23447e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change)
linmin: converged after 2 iterations.
iteration 143: trace = 0.0004139249894459899 (0.000133906% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change)
large trace change predicted (7.06563e-05%)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change)
linmin: converged after 2 iterations.
iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change)
linmin: converged after 2 iterations.
iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change)
linmin: converged after 2 iterations.
iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change)
large trace change predicted (4.81328e-05%)
linmin: converged after 2 iterations.
iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change)
linmin: converged after 2 iterations.
iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change)
linmin: converged after 2 iterations.
iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change)
linmin: converged after 2 iterations.
iteration 152: trace = 0.000413923952211523 (2.88712e-06% change)
large trace change predicted (2.76653e-05%)
linmin: converged after 2 iterations.
iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change)
linmin: converged after 2 iterations.
iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change)
linmin: converged after 2 iterations.
iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change)
linmin: converged after 2 iterations.
iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change)
large trace change predicted (1.2381e-05%)
linmin: converged after 2 iterations.
iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change)
linmin: converged after 2 iterations.
iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change)
linmin: converged after 2 iterations.
iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change)
Finished solving for bands 1 to 1 after 159 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773
elapsed time for k point: 0.6761953830718994
total elapsed time for run: 0.6828567981719971
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006272554397583008
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 = 0.01396094212364524 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01328122170995298 (4.99021% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.01312125250459154 (1.21177% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 4: trace = 0.01191112086656919 (9.66853% change)
linmin: converged after 9 iterations.
iteration 5: trace = 0.0110030162695962 (7.92615% change)
linmin: converged after 7 iterations.
iteration 6: trace = 0.01029304179290455 (6.66766% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.0101531458712683 (1.36843% change)
large trace change predicted (3.83569%)
linmin: converged after 8 iterations.
iteration 8: trace = 0.009161074295762101 (10.273% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008800132157818467 (4.01913% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.008721130039205466 (0.901786% change)
large trace change predicted (5.14951%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007755074091853987 (11.7267% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007567651738028323 (2.44633% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.00744432729098274 (1.64301% change)
large trace change predicted (3.47332%)
linmin: converged after 6 iterations.
iteration 14: trace = 0.006982846082473489 (6.39739% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.006885117068908677 (1.40942% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.006706744046671679 (2.6247% change)
large trace change predicted (6.61768%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.005943992996928429 (12.0586% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.005764800011462347 (3.06083% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.005733187549096868 (0.549878% change)
large trace change predicted (3.92338%)
linmin: converged after 5 iterations.
iteration 20: trace = 0.005437578168133488 (5.29255% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.005065994952417877 (7.07537% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.004980329233775762 (1.70541% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.004799389227541902 (3.70031% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.004290565557764014 (11.1953% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.004129783466733805 (3.81889% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.004098164734631855 (0.768569% change)
large trace change predicted (2.30942%)
linmin: converged after 4 iterations.
iteration 27: trace = 0.003988836574243196 (2.7038% change)
large trace change predicted (5.91726%)
linmin: converged after 6 iterations.
iteration 28: trace = 0.003638194884514588 (9.19471% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.003465126406214108 (4.87289% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.003391039545076355 (2.16117% change)
large trace change predicted (5.05382%)
linmin: converged after 5 iterations.
iteration 31: trace = 0.003180940877716805 (6.39377% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.002877900209262322 (10.0033% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.002790051991039538 (3.09982% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.002766730330194419 (0.839394% change)
large trace change predicted (1.83716%)
linmin: converged after 3 iterations.
iteration 35: trace = 0.002712677849314165 (1.97293% change)
large trace change predicted (6.51997%)
linmin: converged after 5 iterations.
iteration 36: trace = 0.002489458767243676 (8.58182% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.002278426018734292 (8.85226% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.002210940775452601 (3.00645% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.002159482749761328 (2.35483% change)
large trace change predicted (5.04213%)
linmin: converged after 4 iterations.
iteration 40: trace = 0.00203481187534167 (5.94478% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.001904048309856952 (6.63967% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.00185832050557658 (2.4308% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001833707942128221 (1.33328% change)
large trace change predicted (2.94396%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001775450547252923 (3.22831% change)
linmin: converged after 5 iterations.
iteration 45: trace = 0.001644503970627782 (7.6578% change)
linmin: converged after 4 iterations.
iteration 46: trace = 0.001555689303286632 (5.55058% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.001524235618688454 (2.0425% change)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001497778457823109 (1.75096% change)
large trace change predicted (4.11787%)
linmin: converged after 4 iterations.
iteration 49: trace = 0.001431456499506636 (4.52828% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.001319832847711346 (8.11428% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.001256207645533782 (4.93977% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.001230391786619745 (2.0764% change)
linmin: converged after 3 iterations.
iteration 53: trace = 0.001203986363794925 (2.16938% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.00115248694587591 (4.37089% change)
linmin: converged after 3 iterations.
iteration 55: trace = 0.001100112377774731 (4.65015% change)
linmin: converged after 3 iterations.
iteration 56: trace = 0.001077292856449817 (2.09603% change)
linmin: converged after 4 iterations.
iteration 57: trace = 0.001065332550532409 (1.11642% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.001045132371032226 (1.91429% change)
large trace change predicted (5.01463%)
linmin: converged after 3 iterations.
iteration 59: trace = 0.0009893701148277678 (5.48166% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0009134884174844436 (7.97555% change)
linmin: converged after 3 iterations.
iteration 61: trace = 0.000874757439243248 (4.33173% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0008583544664514737 (1.89289% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0008424113279837489 (1.87482% change)
linmin: converged after 3 iterations.
iteration 64: trace = 0.0008152380190685438 (3.27854% change)
linmin: converged after 3 iterations.
iteration 65: trace = 0.0007878477213842137 (3.4172% change)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0007745627298126695 (1.70058% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000767219441475719 (0.952571% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0007562123535870173 (1.44504% change)
large trace change predicted (3.45965%)
linmin: converged after 3 iterations.
iteration 69: trace = 0.0007292232467670601 (3.63383% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007201718792198771 (1.24899% change)
large trace change predicted (5.3862%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006820040602905039 (5.44408% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006742704219718236 (1.14042% change)
large trace change predicted (28.309%)
linmin: converged after 4 iterations.
iteration 73: trace = 0.0005003027046157548 (29.6223% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0004903658432335563 (2.00609% change)
large trace change predicted (6.19981%)
linmin: converged after 4 iterations.
iteration 75: trace = 0.0004599272313909961 (6.40615% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.0004555356679372165 (0.959419% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.0004549395880423197 (0.130938% change)
large trace change predicted (0.67778%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0004518602131959129 (0.679174% change)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0004469389668073831 (1.09507% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0004430305337104067 (0.87833% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0004426074244622806 (0.095549% change)
large trace change predicted (1.38401%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0004365008038963863 (1.38928% change)
linmin: converged after 2 iterations.
iteration 83: trace = 0.000435791942494028 (0.162528% change)
large trace change predicted (0.763752%)
linmin: converged after 4 iterations.
iteration 84: trace = 0.000432462329684045 (0.766967% change)
linmin: converged after 2 iterations.
iteration 85: trace = 0.0004322890730210272 (0.0400709% change)
large trace change predicted (1.24372%)
linmin: converged after 4 iterations.
iteration 86: trace = 0.0004268775599662793 (1.25971% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.0004264886192328498 (0.0911545% change)
large trace change predicted (0.708716%)
linmin: converged after 4 iterations.
iteration 88: trace = 0.000423453578635157 (0.714176% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0004232426025476582 (0.0498351% change)
large trace change predicted (0.349643%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.000421757921823284 (0.351404% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0004207658762294467 (0.235494% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0004196438052718286 (0.26703% change)
linmin: converged after 4 iterations.
iteration 93: trace = 0.0004186306122548561 (0.241733% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0004184953845214169 (0.0323076% change)
large trace change predicted (0.125504%)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0004179692102365137 (0.125809% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0004174146479140429 (0.132768% change)
linmin: converged after 4 iterations.
iteration 97: trace = 0.0004169210654538547 (0.118317% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0004168953517182827 (0.00616772% change)
large trace change predicted (0.194111%)
linmin: converged after 4 iterations.
iteration 99: trace = 0.0004160835437604056 (0.194917% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0004159547361075745 (0.030962% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0004157198047469032 (0.056496% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0004156861672964403 (0.0080917% change)
large trace change predicted (0.161367%)
linmin: converged after 3 iterations.
iteration 103: trace = 0.000415015769837011 (0.161405% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0004149907927671911 (0.00601852% change)
large trace change predicted (0.0549512%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0004147628361953296 (0.0549456% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0004147394187770554 (0.00564614% change)
large trace change predicted (0.0338927%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0004145988939304534 (0.0338884% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0004145923269721607 (0.00158394% change)
large trace change predicted (0.0368809%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0004144394958770213 (0.0368698% change)
linmin: converged after 3 iterations.
iteration 110: trace = 0.0004143662526280264 (0.0176744% change)
linmin: converged after 3 iterations.
iteration 111: trace = 0.000414300372581812 (0.0159003% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0004142972990238712 (0.00074187% change)
large trace change predicted (0.0409684%)
linmin: converged after 3 iterations.
iteration 113: trace = 0.0004141279401081156 (0.040887% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0004141257883983192 (0.000519577% change)
large trace change predicted (0.00468264%)
linmin: converged after 3 iterations.
iteration 115: trace = 0.0004141063987592697 (0.00468217% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.000414104237397629 (0.000521935% change)
large trace change predicted (0.0181301%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0004140291493238772 (0.0181343% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0004140277758299471 (0.000331739% change)
large trace change predicted (0.00913413%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0004139899443903279 (0.00913783% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0004139873450954302 (0.000627866% change)
large trace change predicted (0.00364927%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0004139722345024138 (0.00365008% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0004139689703828329 (0.000788491% change)
large trace change predicted (0.00587122%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0004139446555727229 (0.00587376% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0004139442371795921 (0.000101075% change)
large trace change predicted (0.000893308%)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0004139405390507014 (0.000893392% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0004139381541907386 (0.000576138% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0004139350539578887 (0.000748963% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change)
large trace change predicted (0.000511257%)
linmin: converged after 2 iterations.
iteration 129: trace = 0.000413932810794674 (0.000511317% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0004139318232519382 (0.000238576% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0004139304983427008 (0.00032008% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change)
large trace change predicted (0.000339426%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0004139290212288972 (0.000339456% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change)
large trace change predicted (0.000224737%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0004139279391436693 (0.000224744% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0004139270056153959 (0.000225529% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0004139264559419639 (0.000132795% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change)
large trace change predicted (7.61596e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.000413926105533619 (7.61595e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change)
large trace change predicted (7.23447e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change)
linmin: converged after 2 iterations.
iteration 143: trace = 0.0004139249894459899 (0.000133906% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change)
large trace change predicted (7.06563e-05%)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change)
linmin: converged after 2 iterations.
iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change)
linmin: converged after 2 iterations.
iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change)
linmin: converged after 2 iterations.
iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change)
large trace change predicted (4.81328e-05%)
linmin: converged after 2 iterations.
iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change)
linmin: converged after 2 iterations.
iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change)
linmin: converged after 2 iterations.
iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change)
linmin: converged after 2 iterations.
iteration 152: trace = 0.000413923952211523 (2.88712e-06% change)
large trace change predicted (2.76653e-05%)
linmin: converged after 2 iterations.
iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change)
linmin: converged after 2 iterations.
iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change)
linmin: converged after 2 iterations.
iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change)
linmin: converged after 2 iterations.
iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change)
large trace change predicted (1.2381e-05%)
linmin: converged after 2 iterations.
iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change)
linmin: converged after 2 iterations.
iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change)
linmin: converged after 2 iterations.
iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change)
Finished solving for bands 1 to 1 after 159 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773
elapsed time for k point: 0.6784026622772217
total elapsed time for run: 0.6847500801086426
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006409168243408203
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 = 0.0139704128560643 (199.998% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.01325247935111975 (5.27448% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01309864585223207 (1.16757% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 4: trace = 0.01180419769830925 (10.396% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01092171084968943 (7.76635% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.0104832362042705 (4.09695% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.01024244099014652 (2.32364% change)
linmin: converged after 9 iterations.
iteration 8: trace = 0.009296726181321038 (9.6802% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.009092549250416949 (2.22061% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008877950458103788 (2.38835% change)
linmin: converged after 6 iterations.
iteration 11: trace = 0.008191259878067776 (8.04596% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.008096286457343976 (1.16621% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.007980245656617101 (1.4436% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.007633080390827254 (4.44704% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.007551101189687394 (1.0798% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.007469146928803855 (1.09125% change)
large trace change predicted (3.9796%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.007061705120440128 (5.60795% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.006903078386241062 (2.27181% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.006883599985888954 (0.282568% change)
large trace change predicted (0.911153%)
linmin: converged after 4 iterations.
iteration 20: trace = 0.00681525517829826 (0.997818% change)
large trace change predicted (3.64606%)
linmin: converged after 6 iterations.
iteration 21: trace = 0.006414667864077147 (6.05578% change)
linmin: converged after 5 iterations.
iteration 22: trace = 0.006179070463155562 (3.7415% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.006123365667045719 (0.90559% change)
large trace change predicted (1.96323%)
linmin: converged after 4 iterations.
iteration 24: trace = 0.005987920414037494 (2.23668% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.00577045887794577 (3.69884% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.005717242846854336 (0.926487% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.005689514766158294 (0.486169% change)
large trace change predicted (2.33743%)
linmin: converged after 5 iterations.
iteration 28: trace = 0.005515593855524939 (3.10431% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.004998906369241024 (9.82809% change)
linmin: converged after 6 iterations.
iteration 30: trace = 0.0047750227468392 (4.58124% change)
linmin: converged after 3 iterations.
iteration 31: trace = 0.004746932747066135 (0.590005% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.004704286249534733 (0.902455% change)
large trace change predicted (2.70435%)
linmin: converged after 4 iterations.
iteration 33: trace = 0.004559634268193689 (3.12291% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.004505785235730644 (1.18801% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.004486716278660491 (0.424108% change)
large trace change predicted (1.65013%)
linmin: converged after 4 iterations.
iteration 36: trace = 0.004403659935361575 (1.86846% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.00427652681574679 (2.92927% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.004241792311810986 (0.815525% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.004212672878610267 (0.688853% change)
large trace change predicted (2.6159%)
linmin: converged after 5 iterations.
iteration 40: trace = 0.004078307839058333 (3.24123% change)
linmin: converged after 5 iterations.
iteration 41: trace = 0.003921854172378827 (3.91126% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.003887258230778637 (0.88604% change)
linmin: converged after 4 iterations.
iteration 43: trace = 0.003877595631595188 (0.24888% change)
large trace change predicted (0.564259%)
linmin: converged after 3 iterations.
iteration 44: trace = 0.003854774509315449 (0.590275% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.003806743759075903 (1.25382% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.003784645770881508 (0.582186% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.003772030283002335 (0.33389% change)
large trace change predicted (1.10169%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.003727677192100772 (1.1828% change)
large trace change predicted (2.54483%)
linmin: converged after 5 iterations.
iteration 49: trace = 0.003617159141799081 (3.00941% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.003566314305240271 (1.41561% change)
linmin: converged after 3 iterations.
iteration 51: trace = 0.003555267782136195 (0.310227% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.003544772930972855 (0.295628% change)
large trace change predicted (0.882197%)
linmin: converged after 4 iterations.
iteration 53: trace = 0.003511336163544016 (0.94774% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.003474290018800834 (1.06064% change)
linmin: converged after 3 iterations.
iteration 55: trace = 0.003461055304604568 (0.38166% change)
linmin: converged after 3 iterations.
iteration 56: trace = 0.003450064076673498 (0.318074% change)
large trace change predicted (0.959984%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.003414599750455045 (1.03324% change)
linmin: converged after 4 iterations.
iteration 58: trace = 0.003355264791946304 (1.75291% change)
linmin: converged after 3 iterations.
iteration 59: trace = 0.003328832118899126 (0.790912% change)
linmin: converged after 3 iterations.
iteration 60: trace = 0.003316361826965426 (0.375318% change)
large trace change predicted (0.782533%)
linmin: converged after 3 iterations.
iteration 61: trace = 0.003288989405475136 (0.828795% change)
large trace change predicted (1.92333%)
linmin: converged after 4 iterations.
iteration 62: trace = 0.003216637088435873 (2.2243% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0031633288891235 (1.67111% change)
linmin: converged after 3 iterations.
iteration 64: trace = 0.003147796524626722 (0.492222% change)
linmin: converged after 3 iterations.
iteration 65: trace = 0.003138735020054819 (0.288283% change)
large trace change predicted (0.631443%)
linmin: converged after 3 iterations.
iteration 66: trace = 0.003117908288074134 (0.665748% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.003080073611720689 (1.22087% change)
linmin: converged after 3 iterations.
iteration 68: trace = 0.003057130980387658 (0.747657% change)
linmin: converged after 3 iterations.
iteration 69: trace = 0.003044853183462938 (0.40242% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.003040645554072147 (0.138284% change)
large trace change predicted (0.662844%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.003020737913830766 (0.656868% change)
large trace change predicted (3.15233%)
linmin: converged after 4 iterations.
iteration 72: trace = 0.00292930566739102 (3.07333% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.002880127581963598 (1.69304% change)
large trace change predicted (4.94794%)
linmin: converged after 4 iterations.
iteration 74: trace = 0.002741582966748026 (4.92891% change)
linmin: converged after 4 iterations.
iteration 75: trace = 0.002701516927257924 (1.47218% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.002680059245967761 (0.79745% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.002654711663958115 (0.950278% change)
linmin: converged after 4 iterations.
iteration 78: trace = 0.00263395315502916 (0.785019% change)
linmin: converged after 4 iterations.
iteration 79: trace = 0.002632703149905708 (0.0474686% change)
large trace change predicted (1.11881%)
linmin: converged after 3 iterations.
iteration 80: trace = 0.002603510908529128 (1.11501% change)
linmin: converged after 4 iterations.
iteration 81: trace = 0.002602852951166054 (0.0252751% change)
large trace change predicted (1.98243%)
linmin: converged after 4 iterations.
iteration 82: trace = 0.002546719623661904 (2.18012% change)
linmin: converged after 4 iterations.
iteration 83: trace = 0.002545931326038623 (0.0309582% change)
large trace change predicted (0.28249%)
linmin: converged after 4 iterations.
iteration 84: trace = 0.002538665650581014 (0.285792% change)
linmin: converged after 4 iterations.
iteration 85: trace = 0.002531307083978984 (0.29028% change)
linmin: converged after 4 iterations.
iteration 86: trace = 0.002525454518374927 (0.231475% change)
linmin: converged after 4 iterations.
iteration 87: trace = 0.002519246691417378 (0.246113% change)
linmin: converged after 4 iterations.
iteration 88: trace = 0.002518419308579481 (0.0328479% change)
large trace change predicted (0.184395%)
linmin: converged after 4 iterations.
iteration 89: trace = 0.002513730250763979 (0.186364% change)
linmin: converged after 4 iterations.
iteration 90: trace = 0.002512968998810526 (0.0302883% change)
large trace change predicted (0.217796%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.002507432797603135 (0.220548% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.002507213225727589 (0.00875722% change)
large trace change predicted (0.5147%)
linmin: converged after 4 iterations.
iteration 93: trace = 0.002493995010863174 (0.528601% change)
linmin: converged after 4 iterations.
iteration 94: trace = 0.002493329897761381 (0.0266721% change)
large trace change predicted (1.39143%)
linmin: converged after 4 iterations.
iteration 95: trace = 0.002455039003712123 (1.54762% change)
linmin: converged after 3 iterations.
iteration 96: trace = 0.002452511872111521 (0.10299% change)
large trace change predicted (0.991276%)
linmin: converged after 4 iterations.
iteration 97: trace = 0.002425130456922245 (1.12273% change)
linmin: converged after 3 iterations.
iteration 98: trace = 0.002414082465642957 (0.456603% change)
large trace change predicted (2.45505%)
linmin: converged after 6 iterations.
iteration 99: trace = 0.00232926143884425 (3.57642% change)
linmin: converged after 3 iterations.
iteration 100: trace = 0.002325777946603649 (0.149665% change)
large trace change predicted (2.34227%)
linmin: converged after 6 iterations.
iteration 101: trace = 0.002229897091235998 (4.20929% change)
linmin: converged after 3 iterations.
iteration 102: trace = 0.002223845139965056 (0.271769% change)
large trace change predicted (1.18253%)
linmin: converged after 6 iterations.
iteration 103: trace = 0.002188150132802064 (1.61809% change)
linmin: converged after 3 iterations.
iteration 104: trace = 0.002182874759977945 (0.241379% change)
large trace change predicted (0.876822%)
linmin: converged after 5 iterations.
iteration 105: trace = 0.002159129103806193 (1.09376% change)
linmin: converged after 6 iterations.
iteration 106: trace = 0.002089786152922282 (3.26403% change)
linmin: converged after 4 iterations.
iteration 107: trace = 0.002082927080804095 (0.328758% change)
large trace change predicted (0.745454%)
linmin: converged after 5 iterations.
iteration 108: trace = 0.002064496299123318 (0.888782% change)
linmin: converged after 5 iterations.
iteration 109: trace = 0.002041753068920313 (1.10774% change)
linmin: converged after 3 iterations.
iteration 110: trace = 0.002039571461126356 (0.106907% change)
large trace change predicted (0.360866%)
linmin: converged after 4 iterations.
iteration 111: trace = 0.00203162291519282 (0.390477% change)
large trace change predicted (1.05067%)
linmin: converged after 5 iterations.
iteration 112: trace = 0.002004428314296047 (1.34758% change)
linmin: converged after 3 iterations.
iteration 113: trace = 0.001999407692206722 (0.250791% change)
linmin: converged after 3 iterations.
iteration 114: trace = 0.001995360220819478 (0.202639% change)
large trace change predicted (0.94685%)
linmin: converged after 5 iterations.
iteration 115: trace = 0.001971823715558564 (1.18656% change)
linmin: converged after 4 iterations.
iteration 116: trace = 0.001962095654760598 (0.494573% change)
linmin: converged after 3 iterations.
iteration 117: trace = 0.001959076236913126 (0.154006% change)
large trace change predicted (0.748967%)
linmin: converged after 5 iterations.
iteration 118: trace = 0.001941712280395883 (0.890279% change)
linmin: converged after 5 iterations.
iteration 119: trace = 0.001923375463955263 (0.948843% change)
linmin: converged after 3 iterations.
iteration 120: trace = 0.001920556295701355 (0.146681% change)
linmin: converged after 3 iterations.
iteration 121: trace = 0.001918029912146249 (0.131631% change)
large trace change predicted (0.549968%)
linmin: converged after 4 iterations.
iteration 122: trace = 0.001906201779161867 (0.618589% change)
linmin: converged after 4 iterations.
iteration 123: trace = 0.001898499562050229 (0.404879% change)
linmin: converged after 3 iterations.
iteration 124: trace = 0.001896557449814275 (0.10235% change)
large trace change predicted (0.277058%)
linmin: converged after 3 iterations.
iteration 125: trace = 0.001891002137458801 (0.293345% change)
large trace change predicted (0.718159%)
linmin: converged after 5 iterations.
iteration 126: trace = 0.001875212231809554 (0.838503% change)
linmin: converged after 3 iterations.
iteration 127: trace = 0.001869456093758295 (0.307431% change)
linmin: converged after 3 iterations.
iteration 128: trace = 0.001867923188187034 (0.082031% change)
large trace change predicted (0.22535%)
linmin: converged after 3 iterations.
iteration 129: trace = 0.001863513871651646 (0.236333% change)
large trace change predicted (0.500516%)
linmin: converged after 4 iterations.
iteration 130: trace = 0.001853142211517864 (0.558118% change)
linmin: converged after 3 iterations.
iteration 131: trace = 0.001849375854526385 (0.203448% change)
linmin: converged after 3 iterations.
iteration 132: trace = 0.001848037517131958 (0.0723932% change)
large trace change predicted (0.20788%)
linmin: converged after 3 iterations.
iteration 133: trace = 0.001844026901769776 (0.217256% change)
linmin: converged after 4 iterations.
iteration 134: trace = 0.001836311623647581 (0.41927% change)
linmin: converged after 3 iterations.
iteration 135: trace = 0.001833761470105556 (0.13897% change)
linmin: converged after 3 iterations.
iteration 136: trace = 0.001832871786061251 (0.0485287% change)
large trace change predicted (0.135932%)
linmin: converged after 3 iterations.
iteration 137: trace = 0.001830312047116603 (0.139755% change)
large trace change predicted (0.311765%)
linmin: converged after 4 iterations.
iteration 138: trace = 0.001824235934785314 (0.332523% change)
linmin: converged after 3 iterations.
iteration 139: trace = 0.001821681787552322 (0.14011% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 0.001821340978755483 (0.0187102% change)
large trace change predicted (0.0804528%)
linmin: converged after 3 iterations.
iteration 141: trace = 0.001819877066132478 (0.0804079% change)
large trace change predicted (0.409916%)
linmin: converged after 3 iterations.
iteration 142: trace = 0.001812499503892364 (0.406211% change)
linmin: converged after 3 iterations.
iteration 143: trace = 0.001811454519148888 (0.057671% change)
large trace change predicted (0.477167%)
linmin: converged after 4 iterations.
iteration 144: trace = 0.001802735963199116 (0.482462% change)
linmin: converged after 2 iterations.
iteration 145: trace = 0.001802528129060389 (0.0115295% change)
large trace change predicted (0.204614%)
linmin: converged after 4 iterations.
iteration 146: trace = 0.001798817730664685 (0.206056% change)
linmin: converged after 2 iterations.
iteration 147: trace = 0.001797914790903732 (0.0502089% change)
linmin: converged after 2 iterations.
iteration 148: trace = 0.001797855061937365 (0.00332218% change)
large trace change predicted (0.0666456%)
linmin: converged after 3 iterations.
iteration 149: trace = 0.001796663044742081 (0.0663242% change)
linmin: converged after 2 iterations.
iteration 150: trace = 0.001796554124385083 (0.00606255% change)
large trace change predicted (0.0339861%)
linmin: converged after 3 iterations.
iteration 151: trace = 0.001795941681918807 (0.0340957% change)
linmin: converged after 3 iterations.
iteration 152: trace = 0.001795556193835764 (0.0214667% change)
linmin: converged after 2 iterations.
iteration 153: trace = 0.001795537946428974 (0.00101626% change)
large trace change predicted (0.0137742%)
linmin: converged after 3 iterations.
iteration 154: trace = 0.001795291078519722 (0.0137499% change)
linmin: converged after 3 iterations.
iteration 155: trace = 0.001795240452711556 (0.00281996% change)
linmin: converged after 3 iterations.
iteration 156: trace = 0.001795226987864461 (0.000750033% change)
large trace change predicted (0.00308087%)
linmin: converged after 3 iterations.
iteration 157: trace = 0.001795171693735686 (0.00308011% change)
linmin: converged after 2 iterations.
iteration 158: trace = 0.001795171107873165 (3.26355e-05% change)
large trace change predicted (0.000971063%)
linmin: converged after 2 iterations.
iteration 159: trace = 0.001795153665886346 (0.000971611% change)
linmin: converged after 2 iterations.
iteration 160: trace = 0.001795145309849778 (0.000465479% change)
linmin: converged after 2 iterations.
iteration 161: trace = 0.00179513965313019 (0.000315113% change)
linmin: converged after 2 iterations.
iteration 162: trace = 0.001795132316401178 (0.0004087% change)
linmin: converged after 2 iterations.
iteration 163: trace = 0.001795130761270238 (8.66305e-05% change)
large trace change predicted (0.000263293%)
linmin: converged after 2 iterations.
iteration 164: trace = 0.001795126034816844 (0.000263293% change)
linmin: converged after 2 iterations.
iteration 165: trace = 0.001795120368150627 (0.00031567% change)
linmin: converged after 2 iterations.
iteration 166: trace = 0.001795120265519393 (5.71723e-06% change)
large trace change predicted (0.000128194%)
linmin: converged after 2 iterations.
iteration 167: trace = 0.0017951179643805 (0.000128189% change)
linmin: converged after 2 iterations.
iteration 168: trace = 0.001795116608932586 (7.55075e-05% change)
linmin: converged after 2 iterations.
iteration 169: trace = 0.00179511627836147 (1.8415e-05% change)
large trace change predicted (0.000128111%)
linmin: converged after 2 iterations.
iteration 170: trace = 0.001795113978637384 (0.00012811% change)
linmin: converged after 2 iterations.
iteration 171: trace = 0.001795113633503659 (1.92263e-05% change)
large trace change predicted (0.000217276%)
linmin: converged after 2 iterations.
iteration 172: trace = 0.001795109733048387 (0.000217282% change)
linmin: converged after 2 iterations.
iteration 173: trace = 0.001795108024776292 (9.51626e-05% change)
linmin: converged after 2 iterations.
iteration 174: trace = 0.00179510771385997 (1.73202e-05% change)
linmin: converged after 2 iterations.
iteration 175: trace = 0.001795107475576205 (1.32741e-05% change)
linmin: converged after 2 iterations.
iteration 176: trace = 0.001795107189144143 (1.59563e-05% change)
large trace change predicted (4.80671e-05%)
linmin: converged after 2 iterations.
iteration 177: trace = 0.00179510632617456 (4.80734e-05% change)
linmin: converged after 3 iterations.
iteration 178: trace = 0.001795105301167742 (5.71001e-05% change)
linmin: converged after 2 iterations.
iteration 179: trace = 0.00179510525712836 (2.4533e-06% change)
large trace change predicted (6.13335e-05%)
linmin: converged after 2 iterations.
iteration 180: trace = 0.001795104156147833 (6.13324e-05% change)
linmin: converged after 2 iterations.
iteration 181: trace = 0.001795103906910061 (1.38843e-05% change)
linmin: converged after 2 iterations.
iteration 182: trace = 0.001795103753578124 (8.54168e-06% change)
large trace change predicted (2.98372e-05%)
linmin: converged after 2 iterations.
iteration 183: trace = 0.001795103217903729 (2.98409e-05% change)
linmin: converged after 2 iterations.
iteration 184: trace = 0.001795103166259423 (2.87695e-06% change)
large trace change predicted (3.00403e-05%)
linmin: converged after 3 iterations.
iteration 185: trace = 0.001795102627068015 (3.00368e-05% change)
linmin: converged after 2 iterations.
iteration 186: trace = 0.001795102523467903 (5.77126e-06% change)
linmin: converged after 1 iterations.
iteration 187: trace = 0.001795102514608244 (4.93546e-07% change)
Finished solving for bands 1 to 1 after 187 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209
elapsed time for k point: 0.7981231212615967
total elapsed time for run: 0.804602861404419
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006366252899169922
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 = 0.013963968885107 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327343044449466 (5.07052% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01314818569010378 (0.948048% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01141846578827399 (14.0819% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01061430622937801 (7.29967% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.0102347107119679 (3.64138% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009988837075719608 (2.43156% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.009059508094124929 (9.75758% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008774558877248347 (3.19556% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008664466957180424 (1.26259% change)
large trace change predicted (5.16734%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007650222378831909 (12.4335% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007407584235922479 (3.22276% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.007287287721444142 (1.63726% change)
large trace change predicted (4.46443%)
linmin: converged after 8 iterations.
iteration 14: trace = 0.006585376156714772 (10.1193% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.006385665995861183 (3.07932% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.006173327684014537 (3.38145% change)
large trace change predicted (7.03964%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.005372344447181201 (13.875% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.005203493896296876 (3.19314% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.005158140160565367 (0.875417% change)
large trace change predicted (7.03307%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.004551124706256455 (12.5038% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.004053087734012703 (11.5766% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.003982686104546883 (1.75221% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003851118513789621 (3.35897% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.003554514950175319 (8.01021% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.003482282941089456 (2.05298% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.003443376782551548 (1.12354% change)
large trace change predicted (5.80293%)
linmin: converged after 6 iterations.
iteration 27: trace = 0.003167191653530731 (8.35587% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002727294773792319 (14.9257% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.00261408919836408 (4.23881% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.002578888610947004 (1.3557% change)
large trace change predicted (3.42483%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.002480493356273773 (3.88962% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.002367651133012123 (4.65507% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.00233796629705678 (1.26168% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.002309522256886928 (1.22406% change)
large trace change predicted (5.26705%)
linmin: converged after 5 iterations.
iteration 35: trace = 0.002163759017492219 (6.51706% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001939452304785408 (10.9332% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.00186957222999906 (3.66918% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001846153068852122 (1.26054% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001797037323885004 (2.6963% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001701311179774289 (5.47265% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001657879763084735 (2.58583% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.001643731377042975 (0.85706% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001620701965208401 (1.41093% change)
large trace change predicted (3.46706%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.00155921515695374 (3.8672% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.001512999776482627 (3.0086% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.001497753787335442 (1.01277% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.001482591473434224 (1.01749% change)
large trace change predicted (3.11595%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001433496093899474 (3.36721% change)
linmin: converged after 4 iterations.
iteration 49: trace = 0.001357637973043123 (5.43565% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.001326948326801945 (2.28636% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.001316932853658683 (0.757634% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.00130499859355095 (0.910341% change)
linmin: converged after 3 iterations.
iteration 53: trace = 0.001282234360753415 (1.75974% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.001266870293558345 (1.20545% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.001261655054987313 (0.412512% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.00125677986338564 (0.38716% change)
large trace change predicted (1.2699%)
linmin: converged after 3 iterations.
iteration 57: trace = 0.001240453870881619 (1.30753% change)
large trace change predicted (2.87445%)
linmin: converged after 3 iterations.
iteration 58: trace = 0.001202896860403951 (3.07422% change)
linmin: converged after 3 iterations.
iteration 59: trace = 0.001179735208772778 (1.94421% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.001172296235977517 (0.632557% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.001166242359716823 (0.517749% change)
large trace change predicted (1.07992%)
linmin: converged after 3 iterations.
iteration 62: trace = 0.001153409487711424 (1.10645% change)
linmin: converged after 3 iterations.
iteration 63: trace = 0.001139191286254316 (1.24036% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.001133617688685817 (0.490459% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.001130985118687525 (0.232497% change)
linmin: converged after 4 iterations.
iteration 66: trace = 0.001126199418161235 (0.424042% change)
large trace change predicted (1.0217%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.001114492081979881 (1.04498% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.001104425130402338 (0.907375% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.001100671902350251 (0.340414% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.001099857642964197 (0.0740058% change)
large trace change predicted (0.448655%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.001094930579150081 (0.448979% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.001092058041034646 (0.262693% change)
large trace change predicted (1.1343%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.001079697301944866 (1.13832% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.001075945706008446 (0.348072% change)
large trace change predicted (5.69647%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.001015472061314714 (5.78303% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.001011722488235073 (0.369927% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.001006696724642162 (0.49799% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.001006471831578985 (0.0223422% change)
large trace change predicted (0.321601%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.001003240532948339 (0.321568% change)
large trace change predicted (0.843447%)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0009948316941740013 (0.841695% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0009932059482039139 (0.163553% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0009920100956325559 (0.120476% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0009909098472246269 (0.110973% change)
large trace change predicted (0.343974%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0009875186028339726 (0.342822% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0009868351271945317 (0.0692354% change)
large trace change predicted (0.23392%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0009845322568589683 (0.233632% change)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0009832644457029389 (0.128856% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0009830636446443047 (0.020424% change)
large trace change predicted (0.143137%)
linmin: converged after 4 iterations.
iteration 89: trace = 0.000981654287726127 (0.143467% change)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0009807285600283054 (0.0943473% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0009801262096658643 (0.0614375% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0009797003662757565 (0.0434573% change)
large trace change predicted (0.150715%)
linmin: converged after 4 iterations.
iteration 93: trace = 0.0009782177342185247 (0.15145% change)
linmin: converged after 4 iterations.
iteration 94: trace = 0.0009773746219149113 (0.0862258% change)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0009769392448670227 (0.0445555% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0009766854231881596 (0.0259847% change)
large trace change predicted (0.0932274%)
linmin: converged after 4 iterations.
iteration 97: trace = 0.0009757710907702626 (0.0936597% change)
linmin: converged after 4 iterations.
iteration 98: trace = 0.000974760338555612 (0.103639% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0009746951131747228 (0.00669165% change)
large trace change predicted (0.066841%)
linmin: converged after 4 iterations.
iteration 100: trace = 0.0009740429646619571 (0.0669303% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.000973903057995954 (0.0143645% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0009736734114930696 (0.0235828% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0009736547111648292 (0.00192061% change)
large trace change predicted (0.0320894%)
linmin: converged after 4 iterations.
iteration 104: trace = 0.000973341966809752 (0.0321258% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0009731524760046547 (0.01947% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0009729383974931011 (0.0220009% change)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0009728422982404363 (0.00987771% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.000972773850866935 (0.00703606% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0009727199318841234 (0.00554296% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0009727001609085182 (0.00203257% change)
large trace change predicted (0.00486823%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0009726527881008878 (0.00487036% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0009726459001020127 (0.000708169% change)
large trace change predicted (0.0028796%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0009726178782572927 (0.00288103% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0009726136550693561 (0.000434209% change)
large trace change predicted (0.0044832%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0009725700210456027 (0.00448637% change)
linmin: converged after 3 iterations.
iteration 116: trace = 0.0009725477186011459 (0.00229317% change)
linmin: converged after 3 iterations.
iteration 117: trace = 0.0009725169993835423 (0.00315868% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0009725054398541233 (0.00118863% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0009724922314134557 (0.0013582% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.000972485898755359 (0.00065118% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0009724828068150201 (0.000317942% change)
large trace change predicted (0.000766325%)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0009724753544886667 (0.000766323% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change)
large trace change predicted (0.000487741%)
linmin: converged after 3 iterations.
iteration 124: trace = 0.0009724703967831301 (0.000487663% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change)
large trace change predicted (0.000182956%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0009724666170982419 (0.00018296% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change)
large trace change predicted (8.58149e-05%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change)
large trace change predicted (0.000202977%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0009724626509295809 (0.000202974% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change)
large trace change predicted (1.51509e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change)
large trace change predicted (1.39418e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change)
linmin: converged after 2 iterations.
iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change)
Finished solving for bands 1 to 1 after 144 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374
elapsed time for k point: 0.6154460906982422
total elapsed time for run: 0.6218814849853516
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006377458572387695
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)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327734802514247 (5.03009% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.01312938938238583 (1.12061% change)
near maximum in trace
linmin: converged after 7 iterations.
iteration 4: trace = 0.01143971570355311 (13.7545% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01056618625955128 (7.93905% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.0100894235250991 (4.6163% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009853432413965239 (2.36667% change)
linmin: converged after 9 iterations.
iteration 8: trace = 0.008796447371225856 (11.335% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008458573891943778 (3.91623% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008228863764816385 (2.75309% change)
large trace change predicted (6.26136%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.006959104851753761 (16.7206% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.00673167590201818 (3.32237% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006525014649972332 (3.11784% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005693152944009995 (13.6168% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005504795126196015 (3.36415% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005182224286174116 (6.03668% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004410551313898079 (16.0886% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004283910857905518 (2.91313% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.004224603983459523 (1.39406% change)
large trace change predicted (9.32565%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003556460288190122 (17.1736% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003124334182187236 (12.9364% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003069228500152332 (1.77945% change)
large trace change predicted (3.71325%)
linmin: converged after 5 iterations.
iteration 23: trace = 0.002934336282953766 (4.49374% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.00264233173308252 (10.4724% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002571579567269919 (2.71398% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002533478244798919 (1.49269% change)
large trace change predicted (7.65005%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002278678035554091 (10.5899% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.001883039953473477 (19.0132% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001791571188507326 (4.97842% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001767270133709125 (1.36567% change)
large trace change predicted (3.86857%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.00169217116207442 (4.34168% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001555831949290188 (8.39526% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001511411252316229 (2.89646% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001486905418581334 (1.63464% change)
large trace change predicted (5.92327%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001387435430392555 (6.92124% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001194026459248926 (14.9845% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001122562343194793 (6.16977% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001099956477424317 (2.03426% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001059182240514918 (3.7769% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.0009866837679004818 (7.08731% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.0009558629208419246 (3.17324% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.0009452267884309858 (1.11895% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.0009243211032326439 (2.23644% change)
large trace change predicted (6.26126%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0008615593031079486 (7.02867% change)
linmin: converged after 3 iterations.
iteration 45: trace = 0.0008134176826413665 (5.74833% change)
linmin: converged after 4 iterations.
iteration 46: trace = 0.0007986283255418251 (1.83486% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0007852627945740037 (1.68768% change)
large trace change predicted (4.77797%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0007461125163437629 (5.11309% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0006970945357500939 (6.79292% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0006808926183566773 (2.35153% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0006752932687867483 (0.82575% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0006660950936484398 (1.37144% change)
large trace change predicted (3.11166%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0006448656203036437 (3.23877% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0006304610544465145 (2.25896% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0006258397561783901 (0.735699% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0006213724158645289 (0.716372% change)
large trace change predicted (2.22111%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0006073554439309521 (2.28154% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0005849991898567178 (3.74993% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0005750384421344878 (1.71731% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0005705355312952852 (0.786141% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0005627759095241983 (1.36937% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0005488357745412257 (2.50809% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0005415218646086128 (1.34156% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0005394069954728243 (0.391306% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0005374974140719988 (0.354643% change)
large trace change predicted (1.05234%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0005318034221307215 (1.06499% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0005225513688562095 (1.75502% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0005182232127308791 (0.831718% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0005162072680211521 (0.389769% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0005155092907337273 (0.135304% change)
large trace change predicted (0.688124%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0005119637368373891 (0.69015% change)
linmin: converged after 2 iterations.
iteration 72: trace = 0.0005116082162762452 (0.0694666% change)
large trace change predicted (2.65047%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0004980720955581289 (2.68127% change)
linmin: converged after 2 iterations.
iteration 74: trace = 0.0004962593830387063 (0.364609% change)
large trace change predicted (4.18178%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0004755685305165733 (4.25813% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0004613074630966258 (3.04439% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.000461086796861826 (0.0478464% change)
large trace change predicted (0.213803%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0004601018611198662 (0.21384% change)
large trace change predicted (1.00026%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0004555175354524014 (1.00136% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0004514547054394601 (0.895911% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0004512636246072304 (0.0423345% change)
large trace change predicted (0.206391%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0004503349945097374 (0.205996% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0004501374789181844 (0.0438693% change)
large trace change predicted (0.562754%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0004476360710495486 (0.557247% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0004475864327812843 (0.0110896% change)
large trace change predicted (0.12546%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0004470257239683097 (0.125352% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.0004469825667575035 (0.00965477% change)
large trace change predicted (0.115451%)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0004464661248478511 (0.115606% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0004464504551906729 (0.00350977% change)
large trace change predicted (0.177837%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0004456538746359608 (0.178585% change)
linmin: converged after 2 iterations.
iteration 91: trace = 0.0004456257171319219 (0.00631844% change)
large trace change predicted (0.074741%)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0004452924589958601 (0.0748123% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0004452687856063663 (0.00531651% change)
large trace change predicted (0.113007%)
linmin: converged after 3 iterations.
iteration 94: trace = 0.0004447657260542227 (0.113043% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.000444726767362233 (0.00875976% change)
large trace change predicted (0.105917%)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0004442556986460133 (0.105979% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.000444245580605219 (0.00227755% change)
large trace change predicted (0.0817138%)
linmin: converged after 3 iterations.
iteration 98: trace = 0.0004438810888303023 (0.082081% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0004438500905866564 (0.0069837% change)
large trace change predicted (0.0240443%)
linmin: converged after 2 iterations.
iteration 100: trace = 0.000443743225500733 (0.0240797% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0004437391651983546 (0.000915016% change)
large trace change predicted (0.0185711%)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0004436567046655417 (0.0185848% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0004436180975631598 (0.0087024% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0004435965954249043 (0.00484711% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0004435901010886317 (0.00146403% change)
large trace change predicted (0.0143213%)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0004435266121585175 (0.0143135% change)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0004434983515581526 (0.006372% change)
linmin: converged after 3 iterations.
iteration 108: trace = 0.0004434761005167122 (0.00501729% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.000443471473101567 (0.00104345% change)
large trace change predicted (0.00742987%)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0004434385151229819 (0.00743209% change)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0004434252055766774 (0.00300149% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0004434206868132132 (0.00101906% change)
linmin: converged after 2 iterations.
iteration 113: trace = 0.000443413692435694 (0.00157738% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0004434078981871981 (0.00130675% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0004434060803081369 (0.00040998% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0004434035864054549 (0.000562444% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0004433997721779061 (0.000860219% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change)
large trace change predicted (0.000765319%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0004433959989793184 (0.000765296% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.000443393710753055 (0.00051607% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.00044339255522473 (0.00026061% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change)
large trace change predicted (0.000654702%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0004433895351567819 (0.000654693% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0004433889271465858 (0.000137128% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0004433880632293057 (0.000194844% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change)
large trace change predicted (9.11993e-05%)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change)
Finished solving for bands 1 to 1 after 130 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732
elapsed time for k point: 0.5559144020080566
total elapsed time for run: 0.5623648166656494
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.0063495635986328125
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 = 0.01396317243285668 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327582341516151 (5.0468% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.0131392180270813 (1.0343% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01142281205604164 (13.9761% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01058525607515258 (7.61135% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01015898370438056 (4.10979% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009918237309124136 (2.3982% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008927971076747502 (10.5089% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008614717279949852 (3.57133% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008466233313039572 (1.73859% change)
large trace change predicted (5.78164%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007282511328252523 (15.0326% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007044999188587252 (3.31547% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006874592946480029 (2.44844% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.006133148163783014 (11.4001% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.00596154977038677 (2.83758% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005645565245977392 (5.44467% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.004830936611362561 (15.5515% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004686994043991938 (3.02466% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004633898349406407 (1.13928% change)
large trace change predicted (8.32154%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003985702635394283 (15.04% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003535474708266895 (11.9723% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003476369469566703 (1.68587% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003338185922812975 (4.05554% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.00304023988603604 (9.34231% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002968314177461078 (2.39411% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002929179324367631 (1.32717% change)
large trace change predicted (6.73473%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.00266516322242606 (9.43868% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.00226371610808418 (16.2896% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.002168934509313738 (4.27652% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.00214077639914179 (1.30673% change)
large trace change predicted (3.62381%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.002054832936511166 (4.09683% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.001928675147154582 (6.334% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001891060682966421 (1.96948% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001863419993347732 (1.47241% change)
large trace change predicted (5.5606%)
linmin: converged after 5 iterations.
iteration 35: trace = 0.001742904243219416 (6.68358% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001553603642031292 (11.4849% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.00149051835858315 (4.14473% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001465056863554563 (1.72295% change)
large trace change predicted (3.54511%)
linmin: converged after 4 iterations.
iteration 39: trace = 0.001409511516369738 (3.8646% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001324643607082073 (6.20798% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001293109867389404 (2.40922% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001281892836952946 (0.871225% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001258915302834804 (1.80868% change)
large trace change predicted (4.91517%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001191045275990163 (5.5405% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.001138499727154077 (4.51123% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.00112217005831717 (1.44468% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.001108595699098917 (1.21701% change)
large trace change predicted (3.33729%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001069901372311806 (3.55239% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.001014621259259575 (5.30386% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0009931819912349258 (2.13559% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0009855932452828896 (0.767014% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0009747198764360718 (1.10935% change)
large trace change predicted (2.27865%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0009518762291513457 (2.3714% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.0009362068769205437 (1.65982% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0009309620734048508 (0.561792% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0009261399277891347 (0.519319% change)
large trace change predicted (1.55474%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0009114740521548155 (1.59619% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.000885157723534713 (2.92952% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0008716930715392432 (1.53282% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0008661342145990267 (0.639748% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0008582710080876835 (0.911991% change)
linmin: converged after 3 iterations.
iteration 62: trace = 0.0008422283021135275 (1.88682% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0008310961554440692 (1.33054% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0008278256095158784 (0.394298% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0008259581513831269 (0.225841% change)
large trace change predicted (0.54409%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0008214375662093993 (0.548816% change)
large trace change predicted (1.31796%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000810457089246552 (1.34573% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0008022185029618069 (1.02173% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.000799064159193558 (0.393977% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007982674272893162 (0.0997579% change)
large trace change predicted (0.511106%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0007941909654360605 (0.511971% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0007934194265668023 (0.097195% change)
large trace change predicted (2.05123%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0007771906069134629 (2.06656% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0007749505868352607 (0.288636% change)
large trace change predicted (3.32417%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0007492994742902132 (3.36574% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0007303048045902645 (2.56753% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0007296260899923329 (0.092979% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0007286441023607333 (0.134678% change)
large trace change predicted (0.558198%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0007245873406189162 (0.558309% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0007180771875030859 (0.902518% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0007177753846900935 (0.0420381% change)
large trace change predicted (0.226857%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0007161515296084835 (0.226491% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0007160330404445294 (0.0165466% change)
large trace change predicted (0.465216%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0007127367071706359 (0.461423% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0007126620769587756 (0.0104715% change)
large trace change predicted (0.165499%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0007114852716408983 (0.165265% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.0007114282832243191 (0.0080101% change)
large trace change predicted (0.095004%)
linmin: converged after 2 iterations.
iteration 88: trace = 0.000710752335651195 (0.0950579% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0007107286747977002 (0.00332904% change)
large trace change predicted (0.213089%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0007092078344352046 (0.214212% change)
linmin: converged after 2 iterations.
iteration 91: trace = 0.0007089701515793524 (0.0335195% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0007085829024933058 (0.0546363% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0007085381993806709 (0.006309% change)
large trace change predicted (0.0927125%)
linmin: converged after 4 iterations.
iteration 94: trace = 0.0007078806538429843 (0.0928462% change)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0007072074075412233 (0.0951526% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0007068181437316314 (0.0550575% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0007067093274619584 (0.0153964% change)
large trace change predicted (0.0560665%)
linmin: converged after 4 iterations.
iteration 98: trace = 0.0007063118363032925 (0.0562612% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0007061403184928472 (0.0242865% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0007060950996106257 (0.00640387% change)
large trace change predicted (0.0267454%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0007059060330955778 (0.0267799% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0007058881454635251 (0.00253403% change)
large trace change predicted (0.0136289%)
linmin: converged after 3 iterations.
iteration 103: trace = 0.0007057919581194113 (0.0136274% change)
linmin: converged after 3 iterations.
iteration 104: trace = 0.0007057842514750095 (0.00109192% change)
large trace change predicted (0.0186307%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0007056529475520776 (0.0186057% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0007056483369613913 (0.000653381% change)
large trace change predicted (0.0148068%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0007055439182106634 (0.0147987% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0007055329036022919 (0.00156116% change)
large trace change predicted (0.0110758%)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0007054546515592812 (0.0110918% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0007054502743526807 (0.000620482% change)
large trace change predicted (0.00195447%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0007054364838129145 (0.00195488% change)
linmin: converged after 3 iterations.
iteration 112: trace = 0.00070542386447461 (0.00178889% change)
linmin: converged after 3 iterations.
iteration 113: trace = 0.0007054118291849119 (0.00170612% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.000705406589596326 (0.000742773% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0007054022952448521 (0.000608779% change)
large trace change predicted (0.00136007%)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0007053927001440852 (0.00136024% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change)
large trace change predicted (0.00165021%)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0007053804353967307 (0.00165062% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change)
large trace change predicted (0.000677675%)
linmin: converged after 3 iterations.
iteration 120: trace = 0.0007053750082370517 (0.000677609% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0007053742081007403 (0.000113434% change)
large trace change predicted (0.000715979%)
linmin: converged after 3 iterations.
iteration 122: trace = 0.0007053691586075229 (0.000715863% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change)
large trace change predicted (0.000338665%)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0007053666990218524 (0.000338645% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change)
large trace change predicted (0.000210995%)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0007053651035997121 (0.000211003% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change)
large trace change predicted (3.74998e-05%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change)
large trace change predicted (3.47577e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change)
large trace change predicted (6.4584e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.000705363382080597 (5.56127e-06% change)
large trace change predicted (2.17913e-05%)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change)
large trace change predicted (1.65302e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change)
large trace change predicted (8.44799e-06%)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change)
Finished solving for bands 1 to 1 after 142 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953
elapsed time for k point: 0.6068642139434814
total elapsed time for run: 0.6132857799530029
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.0063664913177490234
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 = 0.01396271668064178 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684595598254 (5.03584% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313324005126226 (1.08751% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143110159340448 (13.8586% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.0105716647670391 (7.81208% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011480006995593 (4.41704% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876896507317543 (2.38002% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008845869823225553 (11.0136% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008516806987345598 (3.79046% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.0083259027376308 (2.26691% change)
large trace change predicted (6.10025%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074435671147812 (16.2525% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006841983821332298 (3.34068% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006643948104508374 (2.93692% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865142910620674 (12.4518% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690265827181827 (3.02676% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005358817859012478 (5.99956% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004559992561401731 (16.1073% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004422633268238755 (3.05833% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004367501599121268 (1.2544% change)
large trace change predicted (8.81855%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.00372526030351258 (15.872% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003275912354850025 (12.8364% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217291914329528 (1.80559% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089322841871505 (4.05825% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002788506790177374 (10.2356% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710327276287455 (2.84349% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002673641018528812 (1.3628% change)
large trace change predicted (6.80645%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438399819545466 (9.20342% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002033628117715322 (18.1024% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001932625575514644 (5.0931% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907447121669809 (1.31135% change)
large trace change predicted (3.49617%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834380521685669 (3.9054% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.00169362700270968 (7.97921% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001645862013262594 (2.86062% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001621572416305719 (1.48677% change)
large trace change predicted (5.19604%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.00152683730460767 (6.01797% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331181621888311 (13.6917% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255055950247379 (5.88698% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.00123163863135193 (1.88341% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191185578475442 (3.33933% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001115731224133547 (6.54158% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001081930558997462 (3.07606% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001070713334826591 (1.04218% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050332277581847 (1.92179% change)
large trace change predicted (5.53461%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009871633721356356 (6.20064% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009348499846279036 (5.4436% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009186091628567765 (1.75249% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009053624949768703 (1.45251% change)
large trace change predicted (4.01003%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008674888829837042 (4.27262% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008159178079870348 (6.12699% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007976349713553913 (2.26616% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007916172097507311 (0.757307% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007826476374209466 (1.13953% change)
large trace change predicted (2.68833%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007610683319630357 (2.79576% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007448033462340947 (2.16021% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007395059081794688 (0.713792% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007349897230015674 (0.612574% change)
large trace change predicted (1.82366%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007213725308723415 (1.87003% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006974056183515871 (3.37853% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006857685870887716 (1.68266% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006809629613036115 (0.703229% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.000673706500779278 (1.07133% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006595597906839349 (2.12211% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006509089489947768 (1.32027% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006483901390010435 (0.387718% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006465124061252257 (0.290019% change)
large trace change predicted (0.811341%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006412331173751737 (0.819927% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006311167036481185 (1.59019% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006255870591535534 (0.880024% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006232810581626358 (0.369295% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006225571731986008 (0.116209% change)
large trace change predicted (0.609983%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006187620007011797 (0.611474% change)
large trace change predicted (1.73973%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006080141760239587 (1.75221% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006035622678303802 (0.734895% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005956759419083705 (1.31522% change)
large trace change predicted (2.85632%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005786878970696843 (2.89315% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005632744308379359 (2.69947% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005628726027644159 (0.0713633% change)
large trace change predicted (0.145053%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005620566909415205 (0.14506% change)
large trace change predicted (0.920718%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.000556901268703327 (0.921468% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005530168479638756 (0.699947% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005523447937977833 (0.121599% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005519201577198722 (0.0769084% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005511154675303566 (0.145905% change)
large trace change predicted (0.454137%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005486399805402559 (0.450189% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005483001043205825 (0.0619681% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005481437586057971 (0.0285187% change)
large trace change predicted (0.103654%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.000547576267322373 (0.103583% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005471173775120635 (0.0838389% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005469543549641633 (0.0298011% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005468753842729244 (0.0144393% change)
large trace change predicted (0.179336%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005458908535775531 (0.180191% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005457402126023019 (0.0275992% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005454536841265851 (0.0525165% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005453725909014505 (0.0148682% change)
large trace change predicted (0.0882481%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005448913918825748 (0.088272% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005447734720897967 (0.0216433% change)
large trace change predicted (0.0981658%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005442386144206128 (0.0982281% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005442276851007091 (0.00200821% change)
large trace change predicted (0.082279%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005437776922392897 (0.0827189% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005437640368095923 (0.00251125% change)
large trace change predicted (0.0242661%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005436318787459453 (0.0243073% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005436266544384924 (0.000961006% change)
large trace change predicted (0.0202723%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005435163780755752 (0.0202874% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005435111183291713 (0.00096773% change)
large trace change predicted (0.0121753%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005434449567637905 (0.0121737% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005434410274724705 (0.000723037% change)
large trace change predicted (0.0153686%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005433575837248268 (0.0153559% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005433559425935523 (0.000302036% change)
large trace change predicted (0.0117648%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005432920431469617 (0.0117608% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005432896628366095 (0.000438128% change)
large trace change predicted (0.00949573%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005432380426691929 (0.00950186% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005432331257739618 (0.000905113% change)
large trace change predicted (0.00221037%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005432211163618246 (0.00221075% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005432204746704853 (0.000118127% change)
large trace change predicted (0.00265795%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005432060353819213 (0.00265813% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005432036139747535 (0.000445763% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005431990785113428 (0.000834951% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.000543197926406157 (0.000212097% change)
large trace change predicted (0.000723263%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005431939976708296 (0.000723263% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005431920389551495 (0.000360593% change)
large trace change predicted (0.00103864%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005431863971830759 (0.00103864% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005431852869783299 (0.000204388% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005431845310996196 (0.000139157% change)
large trace change predicted (0.000337847%)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005431826959961974 (0.000337842% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.000543179521609897 (0.000584407% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005431788940633948 (0.000115532% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change)
large trace change predicted (0.000240786%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005431774702791236 (0.000240778% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change)
large trace change predicted (0.000112502%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005431767243155191 (0.000112501% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change)
large trace change predicted (2.02553e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change)
large trace change predicted (3.94766e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change)
large trace change predicted (2.12872e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change)
large trace change predicted (1.89982e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172
elapsed time for k point: 0.5946991443634033
total elapsed time for run: 0.6011345386505127
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006358146667480469
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 = 0.01396294122459342 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327637332042484 (5.04101% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313625235226447 (1.06102% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01142626466081183 (13.9236% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057784268141234 (7.71149% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.0101363985755588 (4.26223% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.00989707820952058 (2.3892% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008886564416139161 (10.7595% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008565145991401027 (3.68352% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008397849844174292 (1.97248% change)
large trace change predicted (5.94936%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007175141845432881 (15.7029% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006939886279340907 (3.33341% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006754220864507001 (2.71161% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005999068791962081 (11.8425% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.0058281432951154 (2.89038% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005499745249140956 (5.79805% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.004689705950892465 (15.8996% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004548216263075897 (3.06324% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004494400626857838 (1.19027% change)
large trace change predicted (8.55502%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003852697661217761 (15.3755% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.00340144141458563 (12.4413% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003342291500873249 (1.75422% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.00321073386637918 (4.01517% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002909608419548036 (9.84015% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.00283313570204534 (2.66328% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002795671508297314 (1.33116% change)
large trace change predicted (6.68769%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002551161055532764 (9.14599% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002146624058585261 (17.2225% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.002047335440864749 (4.73484% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.002021075958936253 (1.2909% change)
large trace change predicted (3.49827%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001943283503181491 (3.92459% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001807179549767166 (7.25798% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001763263473829649 (2.45998% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001737800359338515 (1.45459% change)
large trace change predicted (5.25882%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001633741627736746 (6.17277% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001441114809892523 (12.5292% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001370755783738239 (5.00443% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001346317415236346 (1.79887% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001298937134882012 (3.58229% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001218627642660845 (6.37993% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001185961764721644 (2.71696% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001174813105179725 (0.944492% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001153265562994512 (1.8511% change)
large trace change predicted (5.22719%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001087433671155279 (5.87601% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.001034298521885585 (5.00866% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.00101785103501322 (1.60295% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.001004519468269755 (1.31841% change)
large trace change predicted (3.61609%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.000966593968775963 (3.84813% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0009133188303399611 (5.66783% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0008935369733063531 (2.18964% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0008868840069756368 (0.747348% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0008772749495186759 (1.08936% change)
large trace change predicted (2.44609%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0008552392129446339 (2.54379% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.000838952470009195 (1.92266% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0008335405326943089 (0.64717% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0008288283473223893 (0.566924% change)
large trace change predicted (1.66737%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0008147725921400057 (1.71036% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007900793485051223 (3.07732% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0007778204750160264 (1.56373% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0007726674683073802 (0.664695% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.000764951390190671 (1.00364% change)
linmin: converged after 3 iterations.
iteration 62: trace = 0.0007496428368889608 (2.02147% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0007398684201165854 (1.31243% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0007370458134004406 (0.38223% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0007351918599742778 (0.251855% change)
large trace change predicted (0.666574%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0007302607013486256 (0.672988% change)
large trace change predicted (1.44705%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0007195516691341203 (1.4773% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.000712771360890298 (0.946757% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0007101173341151617 (0.373048% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007093654384212544 (0.105939% change)
large trace change predicted (0.55778%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0007054115335799733 (0.558944% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0007043508284997924 (0.15048% change)
large trace change predicted (2.1297%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.000689387783738453 (2.14718% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006869429879500523 (0.355263% change)
large trace change predicted (3.46402%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.000663241973037774 (3.51078% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0006461474496980401 (2.61107% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0006453825708277717 (0.118445% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.000644771042408771 (0.0947993% change)
large trace change predicted (0.757839%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0006399009415597467 (0.758186% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0006345766138962792 (0.835531% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0006342779858428429 (0.0470705% change)
large trace change predicted (0.197479%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0006330287779099248 (0.197144% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0006328503458957967 (0.028191% change)
large trace change predicted (0.477008%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0006298664595372162 (0.472614% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0006297884416291778 (0.0123872% change)
large trace change predicted (0.134896%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0006289405513806965 (0.134722% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.000628899974773689 (0.00645179% change)
large trace change predicted (0.114108%)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0006281819528922642 (0.114236% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0006281612812704136 (0.00329076% change)
large trace change predicted (0.19915%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0006269048027433132 (0.200225% change)
linmin: converged after 2 iterations.
iteration 91: trace = 0.0006268416995436522 (0.0100663% change)
large trace change predicted (0.0707117%)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0006263980312008425 (0.0708034% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0006263687788696307 (0.00467004% change)
large trace change predicted (0.100754%)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0006257376260450361 (0.100815% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0006254476225700605 (0.0463566% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0006249214954457557 (0.0841555% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0006249085073483286 (0.00207838% change)
large trace change predicted (0.0655912%)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0006244969880428537 (0.0658744% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0006243594162144645 (0.0220316% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0006242411519433767 (0.0189435% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0006242120429824835 (0.0046632% change)
large trace change predicted (0.0168475%)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0006241068170756991 (0.0168588% change)
linmin: converged after 3 iterations.
iteration 103: trace = 0.000624013238722175 (0.0149951% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0006240067268226183 (0.00104356% change)
large trace change predicted (0.0183095%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0006238926340011864 (0.0182856% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0006238881804011359 (0.000713843% change)
large trace change predicted (0.0117224%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0006238150679887561 (0.0117195% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0006238111858541368 (0.000622323% change)
large trace change predicted (0.0102983%)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0006237468869857381 (0.010308% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.000623743326660812 (0.000570798% change)
large trace change predicted (0.00283281%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0006237256523971056 (0.00283362% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change)
large trace change predicted (0.00313033%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0006237056946706671 (0.00313024% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0006237007607944512 (0.000791062% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0006236986742965005 (0.000334536% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.000623697778498448 (0.000143627% change)
large trace change predicted (0.0013261%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0006236895075212086 (0.00132613% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0006236808514364127 (0.00138789% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change)
large trace change predicted (0.000231625%)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0006236790031522427 (0.000231622% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0006236775448099834 (0.000233829% change)
large trace change predicted (0.000893709%)
linmin: converged after 3 iterations.
iteration 122: trace = 0.0006236719715208735 (0.000893621% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change)
large trace change predicted (0.000268391%)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0006236702549673367 (0.00026838% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change)
large trace change predicted (0.000167545%)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0006236691142128373 (0.000167545% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change)
large trace change predicted (5.07594e-05%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change)
large trace change predicted (3.23205e-05%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change)
large trace change predicted (2.8915e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change)
large trace change predicted (1.20072e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.000623668021265655 (1.20073e-05% change)
large trace change predicted (3.59892e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change)
linmin: converged after 1 iterations.
iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change)
Finished solving for bands 1 to 1 after 138 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508
elapsed time for k point: 0.5891773700714111
total elapsed time for run: 0.5956087112426758
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006380319595336914
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 = 0.01396271777714664 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684379137825 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325504767729 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107375005632 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169175339375 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490401426092 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993337365355 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068471211492 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042059079865 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268487176006 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915033229693 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447360048019 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462502915275 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808450994881 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690963924738635 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359508692909242 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560607785792776 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220513395261 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098356079333 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725891995251578 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.00327651711028274 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890486465157 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.00308991731852105 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789088865306127 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905417307022 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218255004265 (1.36254% change)
large trace change predicted (6.80506%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438970620748649 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189439707574 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181199991457 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998595881864 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919621318485 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173099892836 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646415904548643 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123158550252 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527365709879191 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717514518891 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255605936798469 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184429300583 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709348123899 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235085925415 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435601355861 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218102265449 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833228231255 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.000987653737035624 (6.19867% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353331996882992 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190902454992681 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058432716870005 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679702052056745 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163905684561146 (6.12454% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981007598691239 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920806224588651 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831093799169881 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615281850388767 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452606117657019 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399618151057359 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354447922297769 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218265362412171 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.000697856188177079 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862156205563847 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814084079920771 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741504129083885 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599992909217021 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513436270725466 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488234806081219 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469458212858577 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416678507492177 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315481800942865 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260133894750784 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237060645345516 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229820697130229 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191860209832679 (0.611197% change)
large trace change predicted (1.75539%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083342491997321 (1.76808% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039816651696602 (0.718061% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953484410814782 (1.43967% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790995758315432 (2.76706% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.000563661273599037 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632765099685388 (0.0682848% change)
large trace change predicted (0.152934%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624156810539749 (0.152942% change)
large trace change predicted (0.911932%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573060269262937 (0.912665% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534006161062365 (0.70323% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527443191066584 (0.118664% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.000552321941087918 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515158430645728 (0.146054% change)
large trace change predicted (0.4562%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490274322829425 (0.452215% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486973491247433 (0.0601395% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485468627342601 (0.0274299% change)
large trace change predicted (0.104833%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479724982133001 (0.104761% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475044292173427 (0.0854548% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473523724160804 (0.0277766% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472797511589897 (0.0132686% change)
large trace change predicted (0.180542%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462878420895008 (0.181408% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461204694109087 (0.0306429% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005458502963189519 (0.0494836% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457795958088253 (0.0129532% change)
large trace change predicted (0.0900913%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452879826596135 (0.090116% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451433594486787 (0.0265259% change)
large trace change predicted (0.0932206%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446351038593462 (0.0932769% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446244809466873 (0.00195048% change)
large trace change predicted (0.0828769%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441708676880529 (0.0833239% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441560011681691 (0.002732% change)
large trace change predicted (0.0234907%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440279807558005 (0.0235292% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440224863447266 (0.00100996% change)
large trace change predicted (0.0204396%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439112184856256 (0.0204549% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439049728355746 (0.00114829% change)
large trace change predicted (0.011884%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438403475056866 (0.0118824% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438367330665794 (0.000664616% change)
large trace change predicted (0.0154665%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000543752697087774 (0.0154536% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437509115474623 (0.000328374% change)
large trace change predicted (0.011514%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436883284916223 (0.0115102% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436849331146313 (0.00062451% change)
large trace change predicted (0.00985792%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005436313037312725 (0.00986454% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.000543628223359947 (0.00056663% change)
large trace change predicted (0.00213147%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436166343014158 (0.00213182% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436156475184067 (0.000181522% change)
large trace change predicted (0.00286181%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436000893753474 (0.00286202% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435987502667296 (0.000246341% change)
large trace change predicted (0.00070217%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435949333241007 (0.000702164% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435930347529871 (0.000349263% change)
large trace change predicted (0.00086659%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435883240482468 (0.00086659% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435871532213766 (0.000215389% change)
large trace change predicted (0.000869521%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435824266264684 (0.000869523% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435804116347931 (0.000370688% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435791733251679 (0.000227806% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435778115970986 (0.000250512% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435752134192813 (0.000477978% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435740105292129 (0.000221293% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change)
large trace change predicted (0.000217273%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435725868624831 (0.000217267% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change)
large trace change predicted (0.000125579%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435718352625732 (0.000125578% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change)
large trace change predicted (1.96195e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change)
large trace change predicted (4.27178e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change)
large trace change predicted (2.06103e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change)
large trace change predicted (2.10132e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 0.5928089618682861
total elapsed time for run: 0.5992586612701416
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006361722946166992
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 = 0.01396282863191971 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327661774820583 (5.03836% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313475705921865 (1.07424% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01142848206012068 (13.8929% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.0105745914603802 (7.76156% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01012549991920008 (4.33903% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009886881715102248 (2.38471% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008866172559986736 (10.8858% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008540877170779537 (3.73751% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008362498806995414 (2.11056% change)
large trace change predicted (6.02681%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007124056947380951 (15.9938% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006890108051135823 (3.33875% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006697796647905136 (2.83063% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005932474498657827 (12.1189% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005760215701243487 (2.94644% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005429156740668333 (5.91738% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004623726930956197 (16.0239% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004483952645945583 (3.06937% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004429612849642655 (1.21926% change)
large trace change predicted (8.67783%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003789077339118057 (15.5873% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003338025666279788 (12.6574% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.00327898744641217 (1.78444% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003149820606564701 (4.01838% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002848331511886086 (10.0527% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002770456695464114 (2.77194% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002733517993169456 (1.34226% change)
large trace change predicted (6.7119%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.00249541866449024 (9.10699% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002090277746198257 (17.6698% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001989520888825912 (4.93931% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001963871598318604 (1.29758% change)
large trace change predicted (3.47594%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001888954636065791 (3.88894% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001749742206438526 (7.65177% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001703401511992632 (2.68397% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001678658569913396 (1.46319% change)
large trace change predicted (5.18144%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001580381819025861 (6.03102% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001385927759964756 (13.1108% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.00131210670344504 (5.47221% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001288217074245376 (1.83743% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.00124481280291372 (3.42706% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001167068511292494 (6.44678% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001133684462048501 (2.90201% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001122485570886648 (0.992735% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001101592563319621 (1.8788% change)
large trace change predicted (5.3706%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001037151673680227 (6.02605% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009842870945510444 (5.23039% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009678995947540669 (1.67889% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009546160438150928 (1.38189% change)
large trace change predicted (3.80118%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0009167470664856399 (4.04721% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008643207672027525 (5.88706% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0008453159364097478 (2.22326% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0008390202919907254 (0.747552% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0008298051200213573 (1.10439% change)
large trace change predicted (2.55833%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0008080190557803306 (2.66037% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007916285670295825 (2.04926% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007862346773215591 (0.683695% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007816219256395592 (0.588415% change)
large trace change predicted (1.73592%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007678304831492513 (1.78017% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007435387853682708 (3.21453% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0007315946497627243 (1.6194% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0007266202507370197 (0.682259% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0007191451122385416 (1.03407% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0007044525977511783 (2.06414% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.000695282534000708 (1.31026% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006926243539884183 (0.383049% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006907570462260792 (0.269963% change)
large trace change predicted (0.737695%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006856288673866012 (0.745166% change)
large trace change predicted (1.50311%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006751905099789865 (1.53413% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006690887107595544 (0.907817% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006666308441647106 (0.368021% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.000665894766388085 (0.110479% change)
large trace change predicted (0.583051%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006620147964762438 (0.584373% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006593874374263351 (0.397662% change)
large trace change predicted (1.97433%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006463944470280221 (1.99007% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006439167969048978 (0.384039% change)
large trace change predicted (3.60299%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0006208046970256257 (3.65489% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0006051224312618966 (2.55843% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.000604072952216302 (0.173583% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0006035815759969485 (0.081377% change)
large trace change predicted (0.878809%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005982971756225091 (0.879357% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005936478812236818 (0.780119% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005932851237798021 (0.0611252% change)
large trace change predicted (0.129434%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005925186070023991 (0.129282% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.000591960055657803 (0.0943118% change)
large trace change predicted (0.482135%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005891395700538928 (0.477603% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005890401124208346 (0.0168833% change)
large trace change predicted (0.0998023%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005884530666239399 (0.0997111% change)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005882459274655779 (0.0352068% change)
large trace change predicted (0.114927%)
linmin: converged after 4 iterations.
iteration 88: trace = 0.0005875693650862351 (0.11508% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.000587543305272246 (0.00443529% change)
large trace change predicted (0.146911%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0005866773124815705 (0.147501% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005863762211877528 (0.0513346% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0005859485425552975 (0.0729625% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005859110908195348 (0.00639185% change)
large trace change predicted (0.101499%)
linmin: converged after 3 iterations.
iteration 94: trace = 0.0005853164619594724 (0.101539% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0005852989941774284 (0.00298438% change)
large trace change predicted (0.116394%)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005846175651491142 (0.116492% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005845742989223282 (0.00740105% change)
large trace change predicted (0.0708106%)
linmin: converged after 3 iterations.
iteration 98: trace = 0.0005841585976179939 (0.0711371% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0005841389166807432 (0.00336917% change)
large trace change predicted (0.0329036%)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005839462671581598 (0.0329855% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005839312924220021 (0.00256444% change)
large trace change predicted (0.020159%)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005838134979407432 (0.0201747% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005837926977464084 (0.00356288% change)
large trace change predicted (0.0112663%)
linmin: converged after 3 iterations.
iteration 104: trace = 0.0005837269323053717 (0.0112658% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0005837235328225447 (0.000582377% change)
large trace change predicted (0.0172364%)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0005836230367732186 (0.0172179% change)
linmin: converged after 2 iterations.
iteration 107: trace = 0.0005836125833709429 (0.00179114% change)
large trace change predicted (0.0105648%)
linmin: converged after 3 iterations.
iteration 108: trace = 0.0005835509463284357 (0.0105619% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.000583548943557202 (0.000343205% change)
large trace change predicted (0.0100451%)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005834902830011359 (0.0100529% change)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005834861943973579 (0.000700717% change)
large trace change predicted (0.00228227%)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005834728751719851 (0.00228272% change)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005834693550790069 (0.000603302% change)
large trace change predicted (0.00250098%)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005834547623777851 (0.00250105% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005834540404858312 (0.000123727% change)
large trace change predicted (0.000981181%)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005834483159081683 (0.000981158% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005834430901088896 (0.000895679% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005834414461653333 (0.000281766% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005834400433657492 (0.000240436% change)
large trace change predicted (0.00122504%)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005834328958089031 (0.00122508% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005834306998253623 (0.000376391% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change)
large trace change predicted (0.000409962%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005834278383109859 (0.000409948% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005834254794106206 (0.000404318% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005834241979465602 (0.000219645% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.000583423502971132 (7.03769e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.000583422949230357 (9.49124e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change)
large trace change predicted (3.57128e-05%)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change)
large trace change predicted (2.86351e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.000583422362483298 (2.8635e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005834223464450269 (2.749e-06% change)
large trace change predicted (2.51074e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.00058342219538993 (7.83825e-07% change)
Finished solving for bands 1 to 1 after 136 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282
elapsed time for k point: 0.5885584354400635
total elapsed time for run: 0.5949974060058594
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006359577178955078
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 = 0.01396271777790268 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.0132768437898853 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801723 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107373087121 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177201356 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490408594478 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404148784 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068608208342 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.00851704222118967 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268739342033 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915363859004 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679768137 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857760522 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808909872059 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.00569096440599527 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169257514 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.00456060821010163 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918456057 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767679029 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430729385 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517527304132 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899247688 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917728392793 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266694633 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905816060592 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218653116322 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.00243897101418499 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.00203418982666898 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583112908 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998976138277 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919992986375 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173476476021 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286574502 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538390835 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074183369 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884040442 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316142469 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805750662 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709709301622 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433342012 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949626725 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450353899 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573672995 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.000987654075150004 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335328902478 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190905772391868 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.000905843603216562 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371086195 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908944570634 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981010810609025 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420089687 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983086388 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021284734 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609270861203 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621294935281 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060384531 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493096498 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564988841939 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288337826 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087151743126 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741507190228429 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599995939804922 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.000651343926804659 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794191125 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.000646946120148165 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.000641668150522155 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315484776209362 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260136834488207 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237063575942236 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823626969904 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.000619186313363401 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344731002494 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819543710381 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481802038172 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597029591 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636615393466568 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767884740382 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234450237 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060494775 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.000553400878652251 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445946537723 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005523222163975608 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161191541144 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276985997455 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.000548697623118544 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485471396887906 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715173951 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960304025 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473526468641912 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472800290351699 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158369006 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310184977 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005458505697904451 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798750558736 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452882561276532 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125152974 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353772540491 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446247544126957 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441711389173067 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562712543187 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539104994 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.000544022759221365 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439114907770442 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.000543905244210137 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406201691171 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058016967 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005437529695585573 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437511838185131 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886018592078 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.000543685205660315 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005436315751933429 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284957862589 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.000543616907074114 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200036227 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003612569438 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227288949 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063251706 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933071971916 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435885960222554 (0.000866676% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874256683229 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826997818801 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806840891876 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794453874277 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840457302 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863202293 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.000543574282977934 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593115397 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.000543572790346718 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435721077078849 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.000543571492165385 (7.00912e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 0.6037869453430176
total elapsed time for run: 0.6102228164672852
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.0063898563385009766
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 = 0.01396277298196032 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327673301526956 (5.0371% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313400658270516 (1.08082% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.0114297290608976 (13.8764% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057309468687718 (7.78659% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01012016037562427 (4.3776% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009881894700145501 (2.38241% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008856077207278063 (10.9491% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.00852889711208356 (3.76394% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008344493547057696 (2.18573% change)
large trace change predicted (6.06381%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007099225571323723 (16.1265% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006865992373895782 (3.3402% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.00667070716334527 (2.88527% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.00589915660385347 (12.2762% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005725769822099184 (2.98302% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005394233041223711 (5.96289% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004591812089424818 (16.0708% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.00445313251050142 (3.06646% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004398441239820115 (1.23574% change)
large trace change predicted (8.74475%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003757498063073872 (15.7172% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003307049624969673 (12.7524% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003248169195357291 (1.79644% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003119780808147482 (4.03233% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002818482765278311 (10.1477% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002740289464254404 (2.81333% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002703514636485685 (1.35107% change)
large trace change predicted (6.74778%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002467359186283222 (9.13406% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002062259933127763 (17.8867% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001961187580402064 (5.02417% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001935785449808109 (1.30369% change)
large trace change predicted (3.47972%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001861930146333954 (3.88946% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001721746455471433 (7.82346% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001674547855855682 (2.77942% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001650063402976132 (1.47292% change)
large trace change predicted (5.17495%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001553854523947406 (6.0057% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001358699736264833 (13.4009% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001283533375633954 (5.68961% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001259889741029367 (1.8592% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001218118516427464 (3.37135% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001141570259086561 (6.488% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001107914320244999 (2.99232% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001096696612124706 (1.01766% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.00107608511348011 (1.89725% change)
large trace change predicted (5.44733%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001012315861074889 (6.10699% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009596843822365965 (5.33788% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009433542370176429 (1.71622% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009300901235621667 (1.41601% change)
large trace change predicted (3.90141%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008922288348191729 (4.15529% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008402236786292222 (6.00365% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0008215818528877113 (2.24356% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0008154335389723907 (0.751161% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0008063590029107708 (1.11907% change)
large trace change predicted (2.62064%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007846792856303563 (2.72523% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007683178497697246 (2.10708% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007629615245124783 (0.699588% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007583989713909217 (0.599799% change)
large trace change predicted (1.77635%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007447092847884817 (1.82152% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007205764148180748 (3.29395% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0007087748391403244 (1.65132% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0007038858193914895 (0.692172% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006965316867071886 (1.05028% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006821310634054504 (2.08907% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006732272502924638 (1.31387% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006706397275840157 (0.385086% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006687664955433125 (0.279711% change)
large trace change predicted (0.773811%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006635582625729859 (0.781826% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006532764523642646 (1.56159% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.000647471635683386 (0.892535% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006450938580202934 (0.367916% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006443641358049454 (0.113183% change)
large trace change predicted (0.596167%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006405250771876931 (0.59757% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006341861459408103 (0.994567% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006251090623055943 (1.44161% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006222593712673886 (0.456912% change)
large trace change predicted (3.61349%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005998530474227994 (3.66682% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.000584377672190079 (2.61357% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005836056887257933 (0.132191% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005831765145368019 (0.0735654% change)
large trace change predicted (0.940528%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005777134988166324 (0.941177% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005735210833030355 (0.728334% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005729501811564757 (0.0995929% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005724824656888314 (0.0816662% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005716748811387682 (0.141167% change)
large trace change predicted (0.473833%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005689973367340476 (0.469468% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005688164359378534 (0.031798% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005685241086939911 (0.0514054% change)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005680601706819044 (0.0816372% change)
linmin: converged after 4 iterations.
iteration 88: trace = 0.0005674452625840404 (0.108306% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005673892515685999 (0.00987122% change)
large trace change predicted (0.0466111%)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005671245107237177 (0.0466704% change)
large trace change predicted (0.149567%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005662735341357651 (0.150164% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0005659201341625185 (0.0624275% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005658242203234273 (0.0169497% change)
large trace change predicted (0.0719274%)
linmin: converged after 3 iterations.
iteration 94: trace = 0.0005654172724822857 (0.0719471% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0005652372676748607 (0.0318408% change)
large trace change predicted (0.0910646%)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005647224630710792 (0.0911191% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005645479868322843 (0.0309007% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005643908579115849 (0.0278366% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0005641061419384266 (0.0504593% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005639955170980961 (0.0196126% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005639228619948328 (0.012883% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005638118885822105 (0.0196808% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005638049972376018 (0.00122228% change)
large trace change predicted (0.0112905%)
linmin: converged after 3 iterations.
iteration 104: trace = 0.000563741348089987 (0.0112899% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0005637272110879474 (0.00250774% change)
large trace change predicted (0.0167509%)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0005636328809173244 (0.0167347% change)
linmin: converged after 2 iterations.
iteration 107: trace = 0.0005636302139016803 (0.000473184% change)
large trace change predicted (0.011255%)
linmin: converged after 3 iterations.
iteration 108: trace = 0.0005635668014332474 (0.0112514% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0005635622082828253 (0.000815018% change)
large trace change predicted (0.0100084%)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005635057669609721 (0.0100156% change)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005635037764394931 (0.00035324% change)
large trace change predicted (0.0026277%)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005634889662202282 (0.00262827% change)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005634882607324401 (0.0001252% change)
large trace change predicted (0.00291264%)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005634718475843435 (0.00291282% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change)
large trace change predicted (0.000998649%)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005634658467070818 (0.000998631% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005634622717771309 (0.000634456% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.000563459231407282 (0.000539589% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change)
large trace change predicted (0.00131778%)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005634512572225869 (0.00131781% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.000563449541599581 (0.000304485% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005634488966648199 (0.000114462% change)
large trace change predicted (0.000368054%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005634468229267067 (0.000368044% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005634443003502092 (0.000447705% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005634433325083529 (0.000171773% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.000563441846756934 (2.79733e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change)
large trace change predicted (3.45757e-05%)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change)
linmin: converged after 1 iterations.
iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change)
large trace change predicted (2.99597e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.000563441423019242 (2.99595e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change)
large trace change predicted (2.45802e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.000563441267310489 (2.45801e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change)
large trace change predicted (3.39941e-05%)
linmin: converged after 2 iterations.
iteration 137: trace = 0.000563441068065134 (3.39945e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.000563441055533467 (2.22413e-06% change)
large trace change predicted (8.09133e-06%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change)
large trace change predicted (4.46351e-06%)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change)
large trace change predicted (1.00797e-05%)
linmin: converged after 2 iterations.
iteration 143: trace = 0.000563440908681759 (1.00796e-05% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change)
Finished solving for bands 1 to 1 after 145 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486
elapsed time for k point: 0.6319451332092285
total elapsed time for run: 0.6384108066558838
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006421566009521484
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)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988494 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801603 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107373144121 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177222653 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490408588507 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993403842299 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068607488024 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042220860731 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268738647074 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915362624252 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447678833311 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.00664446285672118 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808909923032 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406404344 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169344881 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608209595262 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220917694077 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767029675 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892431128894 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517527324271 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899157785 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917728547439 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266618841 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905815738305 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218652875282 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.00243897101490796 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189827192646 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583249696 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998976246106 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993232512 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.00169417347662858 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.00164641628661143 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538465078 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074588424 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884497108 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316413764 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805990462 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709709568645 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433540852 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949737259 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450456544 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573828031 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540753778747 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335330162741 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190905773283304 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436033259624 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705373050075 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908946178317 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.000798101081167986 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809421090972 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096984263138 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285022581599 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.00074526092717319 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.000739962129565436 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.000735445106115202 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268494206957 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564990025276 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159289314136 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087152697722 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741507191304969 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599995940863893 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268837216 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794904634 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461202214508 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681506092607 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000631548477707126 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260136835193845 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237063576621431 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627653167 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863134314227 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344730353767 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819544200522 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481792472999 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597313385 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636615393738378 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767885227017 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234313865 (0.152949% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060820175 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.000553400878679191 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445947027221 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.000552322216445876 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161192022421 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276986335131 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486976231642433 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485471397401571 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715635808 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960657026 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.000547352646911789 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472800290891111 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158850852 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310462049 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005458505698385592 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798751141933 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.000545288256175192 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125284867 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353773024541 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446247544612204 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441711389625204 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562712975067 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539585556 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592689452 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439114908238702 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442553742 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406202165286 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058492352 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005437529696057163 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437511838653327 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886019079089 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852057075703 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005436315752388618 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.000543628495833425 (0.000566452% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169071218295 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200508298 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003613031127 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227760568 (0.000246234% change)
large trace change predicted (0.00070207%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063733042 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.00054359330724436 (0.000349365% change)
large trace change predicted (0.000866677%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435885960685875 (0.000866677% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874257154743 (0.000215301% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826998302949 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806841363679 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794454339354 (0.000227879% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840929216 (0.00025044% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863682015 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435742830251136 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593587193 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435721077550639 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 0.6018378734588623
total elapsed time for run: 0.6083376407623291
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006388664245605469
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 = 0.0139627453234668 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327678895732443 (5.03648% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313363091101697 (1.0841% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143038892737028 (13.8678% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057238111550542 (7.79909% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011752134406265 (4.39693% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009879432781964499 (2.38125% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008851061111638534 (10.9807% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008522952955235046 (3.777% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008335408564975862 (2.22494% change)
large trace change predicted (6.08184%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007087003152221757 (16.1895% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006854146058619612 (3.34057% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006657474932032057 (2.91114% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005882487151484895 (12.3603% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005708413868474088 (3.00362% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005376848409001793 (5.98209% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004576121726576717 (16.0902% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004438061818876427 (3.06317% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004383166022229881 (1.24463% change)
large trace change predicted (8.78014%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003741707625373545 (15.79% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003291730464789618 (12.7954% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.00323296361365317 (1.80137% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003104832650725999 (4.04339% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.0028037328238545 (10.192% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.00272549979575612 (2.8298% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.00268877892825142 (1.35645% change)
large trace change predicted (6.77346%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002453217042843278 (9.16227% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002048239457654706 (17.9932% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001947146666235006 (5.06048% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001921857262687753 (1.30728% change)
large trace change predicted (3.48607%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001848427637430311 (3.89518% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001707910804241009 (7.90233% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001660392701845439 (2.82149% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001636012398390305 (1.47921% change)
large trace change predicted (5.18152%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001540609388307187 (6.00657% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001345179666361946 (13.5443% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.00126948431086243 (5.79006% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001245954740020698 (1.87081% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001204877460885485 (3.35211% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001128884041191235 (6.51253% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001095136827332115 (3.03479% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001083916132125791 (1.02987% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.00106342611885985 (1.90841% change)
large trace change predicted (5.48869%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009999651603088994 (6.15113% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009474780947119102 (5.39036% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009311870209203887 (1.73432% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009179318603988158 (1.43367% change)
large trace change predicted (3.95373%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008800680621571141 (4.21177% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008282748494238419 (6.06356% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0008098098649172428 (2.25446% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0008037279075855603 (0.753866% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007947097632042897 (1.12837% change)
large trace change predicted (2.65329%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007730802281605836 (2.75924% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007567571125206468 (2.13397% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007514269868356672 (0.706827% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007468879959237339 (0.605879% change)
large trace change predicted (1.79868%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007332382937661766 (1.8444% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007091847742736814 (3.33515% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.000697460119984083 (1.66704% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006926125255783699 (0.697459% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006853107693224471 (1.05982% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006710414599140188 (2.10407% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006622634864220272 (1.31672% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006597098242442245 (0.386341% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006578341892558789 (0.284717% change)
large trace change predicted (0.792077%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006525900725209967 (0.800369% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006423889616197569 (1.57549% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006367222354210428 (0.886041% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006343807372669772 (0.36842% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006336539383400986 (0.114634% change)
large trace change predicted (0.602878%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006298361502094541 (0.604324% change)
large trace change predicted (1.59666%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006197950781763823 (1.60705% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006145237767948023 (0.854123% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006094352906658932 (0.83148% change)
large trace change predicted (3.28752%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005894510814058584 (3.3338% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005738959982001474 (2.67419% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005734237191063654 (0.0823274% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005728368908955536 (0.10239% change)
large trace change predicted (0.937866%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005674860400448248 (0.93848% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005634781462098142 (0.708757% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005628279215109654 (0.115461% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005624017587877296 (0.0757468% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005615784927448529 (0.146491% change)
large trace change predicted (0.462977%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005590077500636137 (0.458821% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005587368022581278 (0.0484812% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005585444875679437 (0.0344255% change)
large trace change predicted (0.09806%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005579974550806457 (0.0979869% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005574604311140524 (0.0962876% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005573550114431289 (0.0189125% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.000557236712140031 (0.0212274% change)
large trace change predicted (0.173746%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005562649121681097 (0.174548% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005560155450830856 (0.0448389% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005558214414828518 (0.0349158% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005556746092777762 (0.0264206% change)
large trace change predicted (0.0768704%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005552475305163842 (0.0768873% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005549565391509682 (0.0524212% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005545759625776974 (0.0686012% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005545580258742105 (0.00323436% change)
large trace change predicted (0.0788885%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005541184642602463 (0.0792948% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005540827416426181 (0.00644696% change)
large trace change predicted (0.0221441%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005539598645880117 (0.0221791% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005539509641402986 (0.00160671% change)
large trace change predicted (0.0194904%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005538429307990059 (0.0195042% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005538212510814802 (0.00391449% change)
large trace change predicted (0.00948118%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005537687493451267 (0.00948036% change)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0005537545264295007 (0.00256842% change)
large trace change predicted (0.0139068%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005536775826948541 (0.0138959% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005536699714180234 (0.00137469% change)
large trace change predicted (0.0109183%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.000553609541971647 (0.0109149% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005536073766928733 (0.000391121% change)
large trace change predicted (0.00997282%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005535521304986146 (0.00997981% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005535500119164885 (0.000382726% change)
large trace change predicted (0.00221526%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005535377473214456 (0.00221565% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005535371237615334 (0.00011265% change)
large trace change predicted (0.00299101%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005535205665764597 (0.00299121% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change)
large trace change predicted (0.00100099%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005535147301454523 (0.00100097% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change)
large trace change predicted (0.00104748%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005535086249694815 (0.00104748% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change)
large trace change predicted (0.00126845%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005535013059523242 (0.00126845% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change)
large trace change predicted (0.000431366%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005534988122002452 (0.000431358% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change)
large trace change predicted (0.000714089%)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005534946171051055 (0.000714057% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change)
large trace change predicted (0.000246508%)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005534932198247655 (0.000246499% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change)
large trace change predicted (0.000135235%)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005534923836579644 (0.000135234% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change)
large trace change predicted (2.09979e-05%)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change)
large trace change predicted (4.04808e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change)
linmin: converged after 1 iterations.
iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change)
large trace change predicted (2.36162e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.000553491835655066 (2.36161e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change)
large trace change predicted (2.26881e-05%)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change)
Finished solving for bands 1 to 1 after 138 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822
elapsed time for k point: 0.5978875160217285
total elapsed time for run: 0.6043529510498047
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006430149078369141
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.0139627177779028 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988492 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801901 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107373086895 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177201632 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.010114904085955 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404152084 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068608214096 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042221208209 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268739370752 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915363883305 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679798472 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857791814 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.00586580890994385 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406082881 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169326547 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608210157557 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918506502 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767732578 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430815513 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.00327651752737873 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899318571 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917728471123 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266760042 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905816117439 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218653175258 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438971014266685 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189826749606 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583188529 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998976213356 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993059031 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173476536888 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286631224 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538449003 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074250917 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884102342 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316196592 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805805558 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.00119170970936277 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433404988 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949686181 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450412442 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573731395 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540752091424 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335329505629 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.000919090577299524 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436032755809 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371634375 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908945122433 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981010811180984 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420666169 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983658118 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021835698 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609271400371 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621295472298 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060919515 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493622616 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564989352915 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288845188 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087152251829 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741507190742478 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599995940329203 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268575549 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794719898 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461202007415 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681505737842 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000631548477672626 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.000626013683501441 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237063576469151 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627496076 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863134158947 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344731370278 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819544211068 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481801312867 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597499504 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.000563661539392587 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767885225202 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234860933 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060958973 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534008786967546 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445947017196 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005523222164450316 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161192021463 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276986437733 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.000548697623166275 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.000548547139736228 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715651212 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960744757 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.000547352646912068 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.000547280029082484 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158847613 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310603968 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.00054585056983826 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798751030312 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452882561753774 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125531656 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353773016572 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446247544603002 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441711389648834 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562713012351 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539580679 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592689676 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.000543911490824616 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442572321 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406202166766 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058492498 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005437529696060809 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.000543751183865938 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886019066618 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852057078605 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.000543631575240461 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284958338527 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169071216119 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200511586 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003613041888 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227764274 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063726313 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933072447329 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.000543588596069549 (0.000866677% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874257158588 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826998293033 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806841367148 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794454347649 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840932745 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863676812 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435742830254591 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593590635 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435721077554107 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 0.6038353443145752
total elapsed time for run: 0.6103439331054688
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.006308555603027344
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.0139627177779028 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988492 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801901 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107373086895 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177201632 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.010114904085955 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404152084 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068608214096 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042221208209 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268739370752 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915363883305 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679798472 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857791814 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.00586580890994385 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406082881 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169326547 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608210157557 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918506502 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767732578 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430815513 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.00327651752737873 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899318571 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917728471123 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266760042 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905816117439 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218653175258 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438971014266685 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189826749606 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583188529 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998976213356 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993059031 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173476536888 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286631224 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538449003 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074250917 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884102342 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316196592 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805805558 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.00119170970936277 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433404988 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949686181 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450412442 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573731395 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540752091424 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335329505629 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.000919090577299524 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436032755809 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371634375 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908945122433 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981010811180984 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420666169 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983658118 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021835698 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609271400371 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621295472298 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060919515 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493622616 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564989352915 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288845188 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087152251829 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741507190742478 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599995940329203 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268575549 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794719898 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461202007415 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681505737842 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000631548477672626 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.000626013683501441 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237063576469151 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627496076 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863134158947 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344731370278 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819544211068 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481801312867 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597499504 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.000563661539392587 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767885225202 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234860933 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060958973 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534008786967546 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445947017196 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005523222164450316 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161192021463 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276986437733 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.000548697623166275 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.000548547139736228 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715651212 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960744757 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.000547352646912068 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.000547280029082484 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158847613 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310603968 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.00054585056983826 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798751030312 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452882561753774 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125531656 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353773016572 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446247544603002 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441711389648834 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562713012351 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539580679 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592689676 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.000543911490824616 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442572321 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406202166766 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058492498 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005437529696060809 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.000543751183865938 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886019066618 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852057078605 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.000543631575240461 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284958338527 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169071216119 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200511586 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003613041888 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227764274 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063726313 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933072447329 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.000543588596069549 (0.000866677% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874257158588 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826998293033 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806841367148 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794454347649 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840932745 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863676812 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435742830254591 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593590635 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435721077554107 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
.elapsed time for k point: 0.6011390686035156
total elapsed time for run: 0.60752272605896
done
/tmp/meepg15Lzl/test_point_defect_state-0: 42.83s
/tmp/meepg15Lzl/test_poynting-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.001354217529296875
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14050984382629395
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.3943054676055908
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08617568016052246
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07941436767578125
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09246277809143066
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14321637153625488
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10837697982788086
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09245848655700684
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07908272743225098
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07596874237060547
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
/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: 0.07602143287658691
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b01.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b02.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b03.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b04.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b05.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b06.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b07.te.h5...
Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b08.te.h5...
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.060296058654785156
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.06996655464172363
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09542655944824219
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11145710945129395
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
..elapsed time for k point: 0.24767017364501953
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 2.0745551586151123
done
/tmp/meepg15Lzl/test_poynting-0: 2.08s
/tmp/meepg15Lzl/test_resolution-0
========================
/tmp/meepg15Lzl/test_resolution-0: 0.00s
/tmp/meepg15Lzl/test_run_te-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.001346588134765625
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.13981318473815918
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39073634147644043
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08621716499328613
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.07973003387451172
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09316563606262207
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.144852876663208
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10958528518676758
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09290170669555664
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07996320724487305
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.0767369270324707
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07635927200317383
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.0603642463684082
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07020354270935059
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09558343887329102
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11179947853088379
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 0.24763822555541992
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9581842422485352
done
/tmp/meepg15Lzl/test_run_te-0: 1.96s
/tmp/meepg15Lzl/test_run_te_no_geometry-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-07 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0010101795196533203
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...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 28.19057071787513 (190.727% change)
linmin: converged after 7 iterations.
iteration 2: trace = 10.91238426133213 (88.3728% change)
linmin: converged after 5 iterations.
iteration 3: trace = 10.06024105139971 (8.12624% change)
linmin: converged after 4 iterations.
iteration 4: trace = 10.00201229636663 (0.580481% change)
linmin: converged after 4 iterations.
iteration 5: trace = 10.00007845652677 (0.0193364% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.00000129987289 (0.000771563% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.00000004221536 (1.25766e-05% change)
linmin: converged after 2 iterations.
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: 0.023204326629638672
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 5 iterations.
iteration 1: trace = 9.880000133291681 (2.3702% change)
linmin: converged after 2 iterations.
iteration 2: trace = 9.880000004055377 (1.30806e-06% change)
Finished solving for bands 1 to 8 after 2 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661
elapsed time for k point: 0.008743047714233398
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: 0.005491733551025391
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: 0.005469799041748047
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.48000000000711 (3.43813e-10% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047
elapsed time for k point: 0.005448341369628906
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.99999999989867 (8.97997e-10% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278
elapsed time for k point: 0.005449771881103516
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 10.88000039707305 (2.97958% change)
linmin: converged after 2 iterations.
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: 0.008708000183105469
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 10.72763995153733 (1.77719% change)
linmin: converged after 2 iterations.
iteration 2: trace = 10.72763986624717 (7.95051e-07% change)
Finished solving for bands 1 to 8 after 2 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611
elapsed time for k point: 0.008767127990722656
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.85836182238218 (1.70315% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.75311149811511 (0.974023% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.72171121561062 (0.292438% change)
linmin: converged after 4 iterations.
iteration 4: trace = 10.72014292833308 (0.0146283% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.72002114849349 (0.001136% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.72000263415471 (0.000172708% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.72000060484828 (1.89301e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.7200001769306 (3.99177e-06% change)
Finished solving for bands 1 to 8 after 8 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971
elapsed time for k point: 0.027947664260864258
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: 0.005488395690917969
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: 0.005488157272338867
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 11.04529896859918 (2.80917% change)
linmin: converged after 2 iterations.
iteration 2: trace = 11.04529779144371 (1.06575e-05% change)
linmin: converged after 2 iterations.
iteration 3: trace = 11.04529660614459 (1.07313e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 11.04529541260548 (1.08059e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 11.04529421072844 (1.08813e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 11.04529300041396 (1.09577e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 11.04529178156084 (1.1035e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 11.04529055406609 (1.11133e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 11.04528931782503 (1.11925e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 11.04528807273116 (1.12726e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 11.04528681867615 (1.13538e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 11.04528555554979 (1.14359e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 11.04528428324 (1.1519e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 11.04528300163266 (1.16032e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 11.04528171061168 (1.16884e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 11.04528041005893 (1.17747e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 11.04527909985421 (1.18621e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 11.04527777987509 (1.19506e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 11.04527644999708 (1.20402e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 11.04527511009332 (1.2131e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 11.04527376003476 (1.2223e-05% change)
linmin: converged after 2 iterations.
iteration 22: trace = 11.04527239968992 (1.23161e-05% change)
linmin: converged after 2 iterations.
iteration 23: trace = 11.04527102892502 (1.24104e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 11.04526964760372 (1.2506e-05% change)
linmin: converged after 2 iterations.
iteration 25: trace = 11.04526825558725 (1.26028e-05% change)
linmin: converged after 2 iterations.
iteration 26: trace = 11.04526685273423 (1.27009e-05% change)
linmin: converged after 2 iterations.
iteration 27: trace = 11.04526543890069 (1.28004e-05% change)
linmin: converged after 2 iterations.
iteration 28: trace = 11.04526401393993 (1.29011e-05% change)
linmin: converged after 2 iterations.
iteration 29: trace = 11.04526257770253 (1.30032e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 11.04526113003624 (1.31067e-05% change)
linmin: converged after 2 iterations.
iteration 31: trace = 11.04525967078593 (1.32116e-05% change)
linmin: converged after 2 iterations.
iteration 32: trace = 11.04525819979352 (1.33179e-05% change)
linmin: converged after 2 iterations.
iteration 33: trace = 11.04525671689793 (1.34256e-05% change)
linmin: converged after 2 iterations.
iteration 34: trace = 11.04525522193496 (1.35349e-05% change)
linmin: converged after 2 iterations.
iteration 35: trace = 11.04525371473728 (1.36457e-05% change)
linmin: converged after 2 iterations.
iteration 36: trace = 11.04525219513427 (1.3758e-05% change)
linmin: converged after 2 iterations.
iteration 37: trace = 11.04525066295204 (1.38719e-05% change)
linmin: converged after 2 iterations.
iteration 38: trace = 11.04524911801332 (1.39874e-05% change)
linmin: converged after 2 iterations.
iteration 39: trace = 11.04524756013732 (1.41045e-05% change)
linmin: converged after 2 iterations.
iteration 40: trace = 11.04524598913968 (1.42233e-05% change)
linmin: converged after 2 iterations.
iteration 41: trace = 11.04524440483243 (1.43438e-05% change)
linmin: converged after 2 iterations.
iteration 42: trace = 11.04524280702389 (1.4466e-05% change)
linmin: converged after 3 iterations.
iteration 43: trace = 11.04524119551851 (1.459e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 11.0452395701165 (1.47159e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 11.04523793061477 (1.48435e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 11.0452362768057 (1.49731e-05% change)
linmin: converged after 3 iterations.
iteration 47: trace = 11.04523460847756 (1.51045e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 11.0452329254143 (1.52379e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 11.04523122739539 (1.53733e-05% change)
linmin: converged after 3 iterations.
iteration 50: trace = 11.04522951419586 (1.55108e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 11.04522778558607 (1.56503e-05% change)
linmin: converged after 3 iterations.
iteration 52: trace = 11.04522604133166 (1.57919e-05% change)
linmin: converged after 3 iterations.
iteration 53: trace = 11.04522428119343 (1.59357e-05% change)
linmin: converged after 3 iterations.
iteration 54: trace = 11.04522250492716 (1.60818e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 11.04522071228361 (1.623e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 11.04521890300823 (1.63806e-05% change)
linmin: converged after 3 iterations.
iteration 57: trace = 11.04521707684125 (1.65336e-05% change)
linmin: converged after 3 iterations.
iteration 58: trace = 11.04521523351733 (1.66889e-05% change)
linmin: converged after 3 iterations.
iteration 59: trace = 11.04521337276557 (1.68467e-05% change)
linmin: converged after 3 iterations.
iteration 60: trace = 11.04521149430935 (1.7007e-05% change)
linmin: converged after 3 iterations.
iteration 61: trace = 11.04520959786615 (1.71698e-05% change)
linmin: converged after 3 iterations.
iteration 62: trace = 11.04520768314745 (1.73353e-05% change)
linmin: converged after 3 iterations.
iteration 63: trace = 11.0452057498586 (1.75034e-05% change)
linmin: converged after 3 iterations.
iteration 64: trace = 11.04520379769866 (1.76743e-05% change)
linmin: converged after 3 iterations.
iteration 65: trace = 11.04520182636015 (1.78479e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 11.04519983552916 (1.80244e-05% change)
linmin: converged after 3 iterations.
iteration 67: trace = 11.04519782488486 (1.82038e-05% change)
linmin: converged after 3 iterations.
iteration 68: trace = 11.04519579409965 (1.83861e-05% change)
linmin: converged after 3 iterations.
iteration 69: trace = 11.04519374283882 (1.85715e-05% change)
resetting CG direction...
large trace change predicted (0.52935%)
linmin: converged after 4 iterations.
iteration 70: trace = 10.98570566235606 (0.540042% change)
linmin: converged after 4 iterations.
iteration 71: trace = 10.96854022981744 (0.156375% change)
linmin: converged after 4 iterations.
iteration 72: trace = 10.96130326736854 (0.066001% change)
linmin: converged after 3 iterations.
iteration 73: trace = 10.96015412894814 (0.0104841% change)
linmin: converged after 2 iterations.
iteration 74: trace = 10.96003366816295 (0.00109909% change)
linmin: converged after 2 iterations.
iteration 75: trace = 10.96000289704679 (0.000280758% change)
linmin: converged after 2 iterations.
iteration 76: trace = 10.96000031343341 (2.35731e-05% change)
linmin: converged after 2 iterations.
iteration 77: trace = 10.96000007994673 (2.13035e-06% change)
Finished solving for bands 1 to 8 after 77 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315
elapsed time for k point: 0.24947166442871094
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: 0.00547027587890625
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.840000001756971 (1.78163e-07% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222
elapsed time for k point: 0.0055065155029296875
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.760000000165837 (2.02392e-08% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127
elapsed time for k point: 0.005487203598022461
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.00000000001522 (1.76508e-09% change)
Finished solving for bands 2 to 8 after 1 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421
.elapsed time for k point: 0.004567146301269531
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0>
total elapsed time for run: 0.38283371925354004
done
/tmp/meepg15Lzl/test_run_te_no_geometry-0: 0.38s
/tmp/meepg15Lzl/test_run_te_with_mu_material-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Initializing mu function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0019328594207763672
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...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 37.07995427807216 (187.597% change)
linmin: converged after 10 iterations.
iteration 2: trace = 15.08208968479109 (84.3443% change)
linmin: converged after 5 iterations.
iteration 3: trace = 12.99875116715977 (14.8381% change)
linmin: converged after 5 iterations.
iteration 4: trace = 11.69137614546987 (10.5903% change)
linmin: converged after 6 iterations.
iteration 5: trace = 10.73396991772583 (8.53861% change)
linmin: converged after 6 iterations.
iteration 6: trace = 10.10267619616788 (6.05946% change)
linmin: converged after 7 iterations.
iteration 7: trace = 9.256976067648564 (8.73673% change)
linmin: converged after 5 iterations.
iteration 8: trace = 8.850990945429702 (4.48405% change)
linmin: converged after 5 iterations.
iteration 9: trace = 8.599260233942143 (2.88512% change)
linmin: converged after 4 iterations.
iteration 10: trace = 8.316373997538543 (3.34467% change)
linmin: converged after 7 iterations.
iteration 11: trace = 8.106938042095054 (2.55047% change)
linmin: converged after 5 iterations.
iteration 12: trace = 7.905014359807277 (2.52216% change)
linmin: converged after 6 iterations.
iteration 13: trace = 7.66004402676575 (3.1477% change)
linmin: converged after 5 iterations.
iteration 14: trace = 7.496221791814361 (2.16178% change)
linmin: converged after 6 iterations.
iteration 15: trace = 7.355401169824328 (1.89637% change)
linmin: converged after 3 iterations.
iteration 16: trace = 7.25138037927162 (1.42428% change)
linmin: converged after 4 iterations.
iteration 17: trace = 7.18127962592026 (0.971418% change)
linmin: converged after 4 iterations.
iteration 18: trace = 7.129535994668335 (0.72314% change)
linmin: converged after 4 iterations.
iteration 19: trace = 7.092299379694719 (0.523654% change)
linmin: converged after 4 iterations.
iteration 20: trace = 7.062880914156482 (0.415657% change)
linmin: converged after 4 iterations.
iteration 21: trace = 7.04200912493808 (0.295951% change)
linmin: converged after 4 iterations.
iteration 22: trace = 7.01524989339069 (0.380718% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.993639025788045 (0.308531% change)
linmin: converged after 8 iterations.
iteration 24: trace = 6.975094420246651 (0.265516% change)
linmin: converged after 5 iterations.
iteration 25: trace = 6.96129066819734 (0.198097% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.952090594751325 (0.132248% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.944594434093401 (0.107884% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.939427076292032 (0.074436% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.935335630125506 (0.0589768% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.931440743641201 (0.0561758% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.927493558556012 (0.0569623% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.924575579446426 (0.0421306% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.921956091676289 (0.037836% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.919902275915221 (0.0296754% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.918509942049907 (0.0201227% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.917294696916199 (0.0175667% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.916553713254161 (0.0107126% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.91592195252564 (0.00913446% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.915298971377789 (0.00900833% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.91474447112174 (0.00801878% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.914095943233724 (0.00937935% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.913507656487692 (0.00850887% change)
linmin: converged after 8 iterations.
iteration 43: trace = 6.913069239480913 (0.00634166% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.912734881381486 (0.00483673% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.912459643390853 (0.00398169% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.912146917653812 (0.00452419% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.911807830853411 (0.00490579% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.911408698906524 (0.00577481% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.910951335392645 (0.00661773% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.910392908113636 (0.00808065% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.909889294482325 (0.00728804% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.909402304349431 (0.00704798% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.908895116671033 (0.00734081% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.908191912501293 (0.0101788% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.90710883112386 (0.0156794% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.906076217406182 (0.0149511% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.904928772548434 (0.0166164% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.903780583710775 (0.0166299% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.902624626379937 (0.0167452% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.900943191340757 (0.0243623% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.899190661670234 (0.0253987% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.897351294441989 (0.0266642% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.895376358666823 (0.0286373% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.893892251740695 (0.0215255% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.892335263920407 (0.0225876% change)
linmin: converged after 7 iterations.
iteration 66: trace = 6.890751058062829 (0.0229877% change)
linmin: converged after 9 iterations.
iteration 67: trace = 6.889435731369418 (0.0190901% change)
linmin: converged after 7 iterations.
iteration 68: trace = 6.888124775453085 (0.0190303% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.886910014225027 (0.0176371% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.884767233747802 (0.0311187% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.882633388107598 (0.0309985% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.881095113147398 (0.0223526% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.879946597465866 (0.0166923% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.879316461763979 (0.00915944% change)
linmin: converged after 3 iterations.
iteration 75: trace = 6.878537080938592 (0.01133% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.877914173461376 (0.00905622% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.876925949192698 (0.0143691% change)
linmin: converged after 4 iterations.
iteration 78: trace = 6.875996382391897 (0.0135181% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.874606999429915 (0.0202083% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.87371438074915 (0.0129851% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.872576207635754 (0.0165597% change)
linmin: converged after 7 iterations.
iteration 82: trace = 6.870977202633987 (0.0232692% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.868687858317934 (0.0333246% change)
linmin: converged after 4 iterations.
iteration 84: trace = 6.867477619854848 (0.0176212% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.866565169788672 (0.0132874% change)
linmin: converged after 5 iterations.
iteration 86: trace = 6.865179368844953 (0.0201839% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.862623639477074 (0.0372344% change)
linmin: converged after 9 iterations.
iteration 88: trace = 6.861124924024436 (0.0218412% change)
linmin: converged after 3 iterations.
iteration 89: trace = 6.86020411011665 (0.0134216% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.858995938766675 (0.0176129% change)
linmin: converged after 8 iterations.
iteration 91: trace = 6.858118224149518 (0.0127974% change)
linmin: converged after 4 iterations.
iteration 92: trace = 6.857128033363196 (0.0144393% change)
linmin: converged after 4 iterations.
iteration 93: trace = 6.856378784887522 (0.0109272% change)
linmin: converged after 3 iterations.
iteration 94: trace = 6.855983889140656 (0.0057597% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.855775833331903 (0.00303471% change)
linmin: converged after 3 iterations.
iteration 96: trace = 6.855523309343187 (0.00368344% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.855274952752101 (0.00362279% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.855160805125712 (0.00166512% change)
linmin: converged after 4 iterations.
iteration 99: trace = 6.855076132484433 (0.00123517% change)
linmin: converged after 4 iterations.
iteration 100: trace = 6.854953019016813 (0.00179596% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.854818094129846 (0.0019683% change)
linmin: converged after 4 iterations.
iteration 102: trace = 6.854758809724524 (0.000864861% change)
linmin: converged after 4 iterations.
iteration 103: trace = 6.854718951325869 (0.000581472% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.854683880320641 (0.000511634% change)
linmin: converged after 4 iterations.
iteration 105: trace = 6.854645200256241 (0.000564288% change)
linmin: converged after 5 iterations.
iteration 106: trace = 6.854612594542651 (0.000475674% change)
linmin: converged after 4 iterations.
iteration 107: trace = 6.854584016419467 (0.000416919% change)
linmin: converged after 4 iterations.
iteration 108: trace = 6.854554271133996 (0.000433948% change)
linmin: converged after 3 iterations.
iteration 109: trace = 6.854529730460362 (0.000358021% change)
linmin: converged after 3 iterations.
iteration 110: trace = 6.854510325957323 (0.000283091% change)
linmin: converged after 3 iterations.
iteration 111: trace = 6.85448944087829 (0.000304692% change)
linmin: converged after 3 iterations.
iteration 112: trace = 6.854472899994951 (0.000241315% change)
linmin: converged after 4 iterations.
iteration 113: trace = 6.854456195685512 (0.0002437% change)
linmin: converged after 6 iterations.
iteration 114: trace = 6.854435502377167 (0.000301896% change)
linmin: converged after 4 iterations.
iteration 115: trace = 6.854411317435466 (0.000352837% change)
linmin: converged after 5 iterations.
iteration 116: trace = 6.854399035692262 (0.00017918% change)
linmin: converged after 4 iterations.
iteration 117: trace = 6.85439110503745 (0.000115702% change)
large trace change predicted (0.00026524%)
linmin: converged after 4 iterations.
iteration 118: trace = 6.854372905590728 (0.000265516% change)
linmin: converged after 3 iterations.
iteration 119: trace = 6.854352891527244 (0.00029199% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.85434355890188 (0.000136156% change)
linmin: converged after 4 iterations.
iteration 121: trace = 6.854338050697774 (8.03608e-05% change)
linmin: converged after 4 iterations.
iteration 122: trace = 6.854333109605347 (7.20871e-05% change)
linmin: converged after 9 iterations.
iteration 123: trace = 6.854329720339158 (4.94471e-05% change)
linmin: converged after 5 iterations.
iteration 124: trace = 6.854326963725112 (4.02171e-05% change)
linmin: converged after 11 iterations.
iteration 125: trace = 6.854323815940363 (4.59241e-05% change)
linmin: converged after 4 iterations.
iteration 126: trace = 6.85432065377065 (4.6134e-05% change)
linmin: converged after 5 iterations.
iteration 127: trace = 6.854318503229075 (3.1375e-05% change)
linmin: converged after 3 iterations.
iteration 128: trace = 6.85431648171146 (2.94926e-05% change)
linmin: converged after 4 iterations.
iteration 129: trace = 6.85431496842183 (2.20779e-05% change)
linmin: converged after 4 iterations.
iteration 130: trace = 6.854314299958991 (9.75244e-06% change)
linmin: converged after 4 iterations.
iteration 131: trace = 6.854313678981406 (9.05966e-06% change)
linmin: converged after 8 iterations.
iteration 132: trace = 6.854312884200549 (1.15953e-05% change)
linmin: converged after 14 iterations.
iteration 133: trace = 6.854311865489204 (1.48623e-05% change)
linmin: converged after 9 iterations.
iteration 134: trace = 6.8543112985851 (8.27077e-06% change)
linmin: converged after 6 iterations.
iteration 135: trace = 6.85431082436196 (6.91861e-06% change)
linmin: converged after 19 iterations.
iteration 136: trace = 6.85431016755307 (9.58242e-06% change)
linmin: converged after 4 iterations.
iteration 137: trace = 6.854309289832013 (1.28054e-05% change)
linmin: converged after 7 iterations.
iteration 138: trace = 6.854308657163957 (9.23022e-06% change)
linmin: converged after 7 iterations.
iteration 139: trace = 6.854307924048323 (1.06957e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 140: trace = 6.854307417903981 (7.38432e-06% change)
linmin: converged after 4 iterations.
iteration 141: trace = 6.854306969909167 (6.53596e-06% change)
linmin: converged after 10 iterations.
iteration 142: trace = 6.854306474593885 (7.22634e-06% change)
linmin: converged after 5 iterations.
iteration 143: trace = 6.854306058607152 (6.06898e-06% change)
linmin: converged after 3 iterations.
iteration 144: trace = 6.854305757073451 (4.39919e-06% change)
linmin: converged after 9 iterations.
iteration 145: trace = 6.854305444818706 (4.5556e-06% change)
linmin: converged after 4 iterations.
iteration 146: trace = 6.854304890203396 (8.09149e-06% change)
linmin: converged after 4 iterations.
iteration 147: trace = 6.854304491534048 (5.81634e-06% change)
linmin: converged after 8 iterations.
iteration 148: trace = 6.854304291620394 (2.91661e-06% change)
linmin: converged after 4 iterations.
iteration 149: trace = 6.854304060869168 (3.36652e-06% change)
linmin: converged after 7 iterations.
iteration 150: trace = 6.854303700869671 (5.25217e-06% change)
linmin: converged after 4 iterations.
iteration 151: trace = 6.854303402069196 (4.35931e-06% change)
linmin: converged after 7 iterations.
iteration 152: trace = 6.854303138078888 (3.85145e-06% change)
linmin: converged after 4 iterations.
iteration 153: trace = 6.854302877278233 (3.80492e-06% change)
linmin: converged after 6 iterations.
iteration 154: trace = 6.85430263973824 (3.46556e-06% change)
linmin: converged after 8 iterations.
iteration 155: trace = 6.854302422483039 (3.16962e-06% change)
linmin: converged after 4 iterations.
iteration 156: trace = 6.854302260254244 (2.36682e-06% change)
linmin: converged after 6 iterations.
iteration 157: trace = 6.8543020229519 (3.46209e-06% change)
linmin: converged after 8 iterations.
iteration 158: trace = 6.854301803061127 (3.20807e-06% change)
linmin: converged after 5 iterations.
iteration 159: trace = 6.85430155803313 (3.57481e-06% change)
linmin: converged after 4 iterations.
iteration 160: trace = 6.85430140416215 (2.24488e-06% change)
linmin: converged after 5 iterations.
iteration 161: trace = 6.854301308348163 (1.39787e-06% change)
linmin: converged after 7 iterations.
iteration 162: trace = 6.854301245799444 (9.12547e-07% change)
linmin: converged after 5 iterations.
iteration 163: trace = 6.854301157825049 (1.28349e-06% change)
linmin: converged after 5 iterations.
iteration 164: trace = 6.854301069005924 (1.29582e-06% change)
linmin: converged after 5 iterations.
iteration 165: trace = 6.854301009952136 (8.61558e-07% change)
linmin: converged after 5 iterations.
iteration 166: trace = 6.854300969705365 (5.87175e-07% change)
linmin: converged after 4 iterations.
iteration 167: trace = 6.854300948076833 (3.15547e-07% change)
linmin: converged after 13 iterations.
iteration 168: trace = 6.854300932065348 (2.33598e-07% change)
linmin: converged after 4 iterations.
iteration 169: trace = 6.854300911070707 (3.06299e-07% change)
linmin: converged after 4 iterations.
iteration 170: trace = 6.85430089188397 (2.79923e-07% change)
linmin: converged after 10 iterations.
iteration 171: trace = 6.854300881295973 (1.54472e-07% change)
linmin: converged after 4 iterations.
iteration 172: trace = 6.85430087306035 (1.20153e-07% change)
linmin: converged after 11 iterations.
iteration 173: trace = 6.854300860996102 (1.7601e-07% change)
linmin: converged after 4 iterations.
iteration 174: trace = 6.854300852081534 (1.30058e-07% change)
linmin: converged after 4 iterations.
iteration 175: trace = 6.85430084275424 (1.36079e-07% change)
linmin: converged after 6 iterations.
iteration 176: trace = 6.854300830272249 (1.82105e-07% change)
linmin: converged after 5 iterations.
iteration 177: trace = 6.854300822603414 (1.11884e-07% change)
linmin: converged after 4 iterations.
iteration 178: trace = 6.854300817983078 (6.74078e-08% change)
linmin: converged after 4 iterations.
iteration 179: trace = 6.854300813562575 (6.44924e-08% change)
linmin: converged after 27 iterations.
iteration 180: trace = 6.85430080825131 (7.74881e-08% change)
linmin: converged after 4 iterations.
iteration 181: trace = 6.854300801798455 (9.41431e-08% change)
linmin: converged after 5 iterations.
iteration 182: trace = 6.854300795434934 (9.28398e-08% change)
linmin: converged after 8 iterations.
iteration 183: trace = 6.854300791298354 (6.03501e-08% change)
linmin: converged after 6 iterations.
iteration 184: trace = 6.854300788124082 (4.63107e-08% change)
linmin: converged after 4 iterations.
iteration 185: trace = 6.854300785155017 (4.33168e-08% change)
linmin: converged after 5 iterations.
iteration 186: trace = 6.854300781057044 (5.97869e-08% change)
linmin: converged after 4 iterations.
iteration 187: trace = 6.854300778450468 (3.80283e-08% change)
linmin: converged after 4 iterations.
iteration 188: trace = 6.854300776974714 (2.15303e-08% change)
linmin: converged after 7 iterations.
iteration 189: trace = 6.854300775732911 (1.81171e-08% change)
linmin: converged after 21 iterations.
iteration 190: trace = 6.854300774376568 (1.97882e-08% change)
linmin: converged after 4 iterations.
iteration 191: trace = 6.854300773192704 (1.72719e-08% change)
linmin: converged after 5 iterations.
iteration 192: trace = 6.854300772718631 (6.91643e-09% change)
linmin: converged after 4 iterations.
iteration 193: trace = 6.854300772373036 (5.04201e-09% change)
linmin: converged after 4 iterations.
iteration 194: trace = 6.854300771833355 (7.87361e-09% change)
linmin: converged after 21 iterations.
iteration 195: trace = 6.854300771437645 (5.77317e-09% change)
linmin: converged after 15 iterations.
iteration 196: trace = 6.854300771260495 (2.58451e-09% change)
linmin: converged after 4 iterations.
iteration 197: trace = 6.854300771187706 (1.06194e-09% change)
linmin: converged after 12 iterations.
iteration 198: trace = 6.854300771138262 (7.21357e-10% change)
linmin: converged after 4 iterations.
iteration 199: trace = 6.854300771070114 (9.94239e-10% change)
linmin: converged after 9 iterations.
iteration 200: trace = 6.85430077100915 (8.89422e-10% change)
linmin: converged after 3 iterations.
iteration 201: trace = 6.854300770986218 (3.34562e-10% change)
linmin: converged after 2 iterations.
iteration 202: trace = 6.854300770974715 (1.67819e-10% change)
linmin: converged after 3 iterations.
iteration 203: trace = 6.854300770964711 (1.45959e-10% change)
linmin: converged after 5 iterations.
iteration 204: trace = 6.85430077095844 (9.14962e-11% change)
Finished solving for bands 2 to 8 after 204 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597
elapsed time for k point: 1.0389411449432373
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 7.007537457446258 (11.2703% change)
linmin: converged after 5 iterations.
iteration 2: trace = 7.003247355935917 (0.06124% change)
large trace change predicted (0.442958%)
linmin: converged after 5 iterations.
iteration 3: trace = 6.97513932471041 (0.402164% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.971270251122395 (0.0554849% change)
large trace change predicted (0.226623%)
linmin: converged after 4 iterations.
iteration 5: trace = 6.95626746859895 (0.215441% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.933392870171838 (0.329376% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.931992239405091 (0.0202033% change)
large trace change predicted (0.205291%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.917331484602 (0.211718% change)
linmin: converged after 9 iterations.
iteration 9: trace = 6.902037331758033 (0.221344% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.900816451921457 (0.0176903% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.89872058529172 (0.0303759% change)
large trace change predicted (0.158392%)
linmin: converged after 6 iterations.
iteration 12: trace = 6.88813042232098 (0.153627% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.885392679745547 (0.0397537% change)
linmin: converged after 11 iterations.
iteration 14: trace = 6.881023949808716 (0.0634694% change)
large trace change predicted (0.551569%)
linmin: converged after 6 iterations.
iteration 15: trace = 6.85122300444239 (0.434029% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.848570426617911 (0.0387243% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.846532554158202 (0.0297606% change)
large trace change predicted (0.118504%)
linmin: converged after 6 iterations.
iteration 18: trace = 6.838958717757984 (0.110684% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.838261210950048 (0.0101995% change)
large trace change predicted (0.0363602%)
linmin: converged after 3 iterations.
iteration 20: trace = 6.835756740072389 (0.0366311% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.831548373033576 (0.061583% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.831144949422955 (0.00590548% change)
large trace change predicted (0.0574298%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.827114355778042 (0.0590206% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.823314259527984 (0.0556773% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.822904154140413 (0.00601054% change)
large trace change predicted (0.0472521%)
linmin: converged after 4 iterations.
iteration 26: trace = 6.819507863331362 (0.0497902% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.818042501412231 (0.0214901% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.817386915346895 (0.00961592% change)
large trace change predicted (0.0746117%)
linmin: converged after 10 iterations.
iteration 29: trace = 6.811801994343884 (0.0819553% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.811011821202275 (0.0116007% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.809751574221748 (0.0185048% change)
large trace change predicted (0.0614976%)
linmin: converged after 4 iterations.
iteration 32: trace = 6.805453233659726 (0.0631403% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.805025660305189 (0.006283% change)
large trace change predicted (0.0298744%)
linmin: converged after 3 iterations.
iteration 34: trace = 6.80296458043872 (0.0302922% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.800346857992223 (0.0384865% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.800157595674935 (0.00278317% change)
large trace change predicted (0.0152532%)
linmin: converged after 4 iterations.
iteration 37: trace = 6.799129608070678 (0.0151183% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.797753758086779 (0.0202377% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.797626620366234 (0.00187031% change)
large trace change predicted (0.0096437%)
linmin: converged after 4 iterations.
iteration 40: trace = 6.796985860133845 (0.00942668% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.796346977919242 (0.00939993% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.796284310238764 (0.000922083% change)
large trace change predicted (0.00629687%)
linmin: converged after 4 iterations.
iteration 43: trace = 6.79586753547404 (0.00613258% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.795406399081847 (0.00678577% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.795367590543146 (0.000571101% change)
large trace change predicted (0.00284231%)
linmin: converged after 4 iterations.
iteration 46: trace = 6.795177122079922 (0.00280296% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.794940920007555 (0.00347609% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.794907137572094 (0.000497172% change)
large trace change predicted (0.00433785%)
linmin: converged after 4 iterations.
iteration 49: trace = 6.794615934362422 (0.0042857% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.794255735051849 (0.00530139% change)
linmin: converged after 5 iterations.
iteration 51: trace = 6.794217401763936 (0.000564203% change)
large trace change predicted (0.00335306%)
linmin: converged after 4 iterations.
iteration 52: trace = 6.793991213313937 (0.00332919% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.793728117339382 (0.00387256% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.793694259081174 (0.000498376% change)
large trace change predicted (0.00365899%)
linmin: converged after 4 iterations.
iteration 55: trace = 6.793446263052462 (0.00365045% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.793196853596192 (0.00367139% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.793167323895753 (0.000434696% change)
large trace change predicted (0.00302394%)
linmin: converged after 10 iterations.
iteration 58: trace = 6.792962143072923 (0.00302045% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.792775384990048 (0.00274933% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.792756987326691 (0.000270842% change)
large trace change predicted (0.00165713%)
linmin: converged after 4 iterations.
iteration 61: trace = 6.792644650610223 (0.00165379% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.792550297390947 (0.00138906% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.792537664820014 (0.000185977% change)
large trace change predicted (0.00160153%)
linmin: converged after 4 iterations.
iteration 64: trace = 6.792429262685819 (0.00159591% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.792340578232512 (0.00130565% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.792331552017195 (0.000132888% change)
large trace change predicted (0.000841299%)
linmin: converged after 4 iterations.
iteration 67: trace = 6.792274567195951 (0.000838962% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.792237439770127 (0.000546614% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.79223260978665 (7.11104e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.792228297655388 (6.34862e-05% change)
large trace change predicted (0.00110166%)
linmin: converged after 4 iterations.
iteration 71: trace = 6.792153695267506 (0.00109836% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.792149581450575 (6.05672e-05% change)
large trace change predicted (0.000708831%)
linmin: converged after 4 iterations.
iteration 73: trace = 6.792101528707402 (0.000707477% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.792099860237837 (2.45649e-05% change)
large trace change predicted (0.000618981%)
linmin: converged after 4 iterations.
iteration 75: trace = 6.79205787990562 (0.000618078% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.792056168827534 (2.51923e-05% change)
large trace change predicted (0.000403212%)
linmin: converged after 3 iterations.
iteration 77: trace = 6.792028766644234 (0.000403445% change)
linmin: converged after 3 iterations.
iteration 78: trace = 6.792026998181269 (2.60373e-05% change)
large trace change predicted (0.000260644%)
linmin: converged after 3 iterations.
iteration 79: trace = 6.792009274547162 (0.000260948% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.79200845159906 (1.21164e-05% change)
large trace change predicted (0.000159635%)
linmin: converged after 3 iterations.
iteration 81: trace = 6.791997598022605 (0.000159799% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.791996904947478 (1.02043e-05% change)
large trace change predicted (8.62325e-05%)
linmin: converged after 3 iterations.
iteration 83: trace = 6.791991045301935 (8.62728e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 6.791990706155061 (4.99334e-06% change)
large trace change predicted (6.48367e-05%)
linmin: converged after 4 iterations.
iteration 85: trace = 6.791986302260665 (6.48395e-05% change)
linmin: converged after 5 iterations.
iteration 86: trace = 6.791986004162207 (4.38897e-06% change)
large trace change predicted (5.18509e-05%)
linmin: converged after 4 iterations.
iteration 87: trace = 6.791982481881336 (5.18594e-05% change)
linmin: converged after 4 iterations.
iteration 88: trace = 6.79198179276332 (1.01461e-05% change)
large trace change predicted (5.89483e-05%)
linmin: converged after 4 iterations.
iteration 89: trace = 6.791977794316667 (5.88701e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 6.791976820443474 (1.43386e-05% change)
linmin: converged after 5 iterations.
iteration 91: trace = 6.791975615140822 (1.7746e-05% change)
linmin: converged after 3 iterations.
iteration 92: trace = 6.791973900423805 (2.52462e-05% change)
linmin: converged after 7 iterations.
iteration 93: trace = 6.791973335488525 (8.31769e-06% change)
large trace change predicted (1.69316e-05%)
linmin: converged after 12 iterations.
iteration 94: trace = 6.791972185590867 (1.69302e-05% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.79197155135575 (9.33801e-06% change)
linmin: converged after 5 iterations.
iteration 96: trace = 6.791970944542422 (8.93427e-06% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.791970211866635 (1.07874e-05% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.791969818862496 (5.78631e-06% change)
linmin: converged after 3 iterations.
iteration 99: trace = 6.791969262211649 (8.19572e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 6.791968708602202 (8.15094e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 6.791968653064911 (8.17691e-07% change)
large trace change predicted (5.37706e-06%)
linmin: converged after 2 iterations.
iteration 102: trace = 6.791968287849869 (5.37716e-06% change)
linmin: converged after 6 iterations.
iteration 103: trace = 6.791968277463236 (1.52925e-07% change)
large trace change predicted (2.60221e-06%)
linmin: converged after 2 iterations.
iteration 104: trace = 6.791968100721677 (2.60221e-06% change)
linmin: converged after 6 iterations.
iteration 105: trace = 6.791968092878765 (1.15473e-07% change)
large trace change predicted (2.0587e-06%)
linmin: converged after 3 iterations.
iteration 106: trace = 6.791967953051572 (2.05871e-06% change)
linmin: converged after 3 iterations.
iteration 107: trace = 6.791967948024034 (7.40218e-08% change)
large trace change predicted (1.46291e-06%)
linmin: converged after 8 iterations.
iteration 108: trace = 6.791967848660353 (1.46296e-06% change)
linmin: converged after 4 iterations.
iteration 109: trace = 6.791967845150555 (5.16757e-08% change)
large trace change predicted (1.32858e-06%)
linmin: converged after 3 iterations.
iteration 110: trace = 6.791967754913359 (1.32859e-06% change)
linmin: converged after 21 iterations.
iteration 111: trace = 6.791967748472299 (9.48335e-08% change)
large trace change predicted (1.1718e-06%)
linmin: converged after 5 iterations.
iteration 112: trace = 6.791967668877026 (1.1719e-06% change)
linmin: converged after 5 iterations.
iteration 113: trace = 6.79196766554222 (4.90993e-08% change)
large trace change predicted (7.81653e-07%)
linmin: converged after 2 iterations.
iteration 114: trace = 6.791967612450451 (7.81685e-07% change)
linmin: converged after 24 iterations.
iteration 115: trace = 6.791967610959208 (2.1956e-08% change)
large trace change predicted (2.94444e-07%)
linmin: converged after 3 iterations.
iteration 116: trace = 6.791967590960216 (2.94451e-07% change)
linmin: converged after 8 iterations.
iteration 117: trace = 6.791967587005427 (5.82274e-08% change)
large trace change predicted (2.45919e-07%)
linmin: converged after 30 iterations.
iteration 118: trace = 6.791967570302307 (2.45925e-07% change)
linmin: converged after 4 iterations.
iteration 119: trace = 6.79196756206063 (1.21344e-07% change)
linmin: converged after 5 iterations.
iteration 120: trace = 6.791967546140414 (2.34398e-07% change)
linmin: converged after 18 iterations.
iteration 121: trace = 6.791967543171825 (4.37073e-08% change)
large trace change predicted (2.56507e-07%)
linmin: converged after 16 iterations.
iteration 122: trace = 6.791967525749222 (2.56518e-07% change)
linmin: converged after 8 iterations.
iteration 123: trace = 6.79196752451914 (1.81108e-08% change)
large trace change predicted (6.60925e-08%)
linmin: converged after 15 iterations.
iteration 124: trace = 6.79196752003006 (6.6094e-08% change)
linmin: converged after 5 iterations.
iteration 125: trace = 6.791967517036195 (4.40795e-08% change)
linmin: converged after 19 iterations.
iteration 126: trace = 6.791967516053871 (1.4463e-08% change)
large trace change predicted (4.7355e-08%)
linmin: converged after 7 iterations.
iteration 127: trace = 6.79196751283756 (4.73546e-08% change)
linmin: converged after 6 iterations.
iteration 128: trace = 6.791967512591317 (3.6255e-09% change)
large trace change predicted (4.03429e-08%)
linmin: converged after 26 iterations.
iteration 129: trace = 6.791967509851213 (4.03433e-08% change)
linmin: converged after 27 iterations.
iteration 130: trace = 6.791967509713659 (2.02524e-09% change)
large trace change predicted (5.30423e-08%)
linmin: converged after 9 iterations.
iteration 131: trace = 6.791967506110998 (5.3043e-08% change)
linmin: converged after 4 iterations.
iteration 132: trace = 6.791967505801535 (4.5563e-09% change)
large trace change predicted (5.32642e-08%)
linmin: converged after 7 iterations.
iteration 133: trace = 6.791967502183798 (5.32649e-08% change)
linmin: converged after 6 iterations.
iteration 134: trace = 6.79196750191726 (3.92431e-09% change)
large trace change predicted (2.31904e-08%)
linmin: converged after 7 iterations.
iteration 135: trace = 6.79196750034217 (2.31905e-08% change)
linmin: converged after 6 iterations.
iteration 136: trace = 6.791967500260601 (1.20097e-09% change)
large trace change predicted (1.46637e-08%)
linmin: converged after 3 iterations.
iteration 137: trace = 6.791967499264651 (1.46636e-08% change)
linmin: converged after 5 iterations.
iteration 138: trace = 6.791967499226701 (5.58736e-10% change)
large trace change predicted (1.25371e-08%)
linmin: converged after 4 iterations.
iteration 139: trace = 6.791967498375169 (1.25373e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 6.791967498292051 (1.22378e-09% change)
large trace change predicted (2.54594e-09%)
linmin: converged after 6 iterations.
iteration 141: trace = 6.791967498119134 (2.5459e-09% change)
linmin: converged after 26 iterations.
iteration 142: trace = 6.791967497955175 (2.41401e-09% change)
linmin: converged after 27 iterations.
iteration 143: trace = 6.791967497875718 (1.16987e-09% change)
large trace change predicted (3.67353e-09%)
linmin: converged after 7 iterations.
iteration 144: trace = 6.791967497626207 (3.67363e-09% change)
linmin: converged after 6 iterations.
iteration 145: trace = 6.791967497592159 (5.0129e-10% change)
large trace change predicted (6.23283e-09%)
linmin: converged after 20 iterations.
iteration 146: trace = 6.791967497168824 (6.23288e-09% change)
linmin: converged after 4 iterations.
iteration 147: trace = 6.791967497130071 (5.70571e-10% change)
large trace change predicted (4.56836e-09%)
linmin: converged after 19 iterations.
iteration 148: trace = 6.791967496819786 (4.56841e-09% change)
linmin: converged after 6 iterations.
iteration 149: trace = 6.791967496790313 (4.33944e-10% change)
large trace change predicted (2.16893e-09%)
linmin: converged after 22 iterations.
iteration 150: trace = 6.791967496643008 (2.1688e-09% change)
linmin: converged after 4 iterations.
iteration 151: trace = 6.79196749651947 (1.81889e-09% change)
linmin: converged after 6 iterations.
iteration 152: trace = 6.791967496513665 (8.54575e-11% change)
Finished solving for bands 1 to 8 after 152 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489
elapsed time for k point: 0.9400887489318848
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.779233704149505 (0.029341% change)
large trace change predicted (0.119594%)
linmin: converged after 4 iterations.
iteration 2: trace = 6.77122872818564 (0.118151% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.76788727287084 (0.04936% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.76677160790444 (0.016486% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.76553524136044 (0.0182728% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.765292028812663 (0.00359494% change)
large trace change predicted (0.0160508%)
linmin: converged after 4 iterations.
iteration 7: trace = 6.764215362151291 (0.0159158% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.7640744078539 (0.00208385% change)
large trace change predicted (0.00881556%)
linmin: converged after 3 iterations.
iteration 9: trace = 6.763478317595627 (0.00881298% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.763112350468273 (0.00541108% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.762840550271752 (0.00401894% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.762589674807687 (0.00370969% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.762500230376306 (0.00132264% change)
large trace change predicted (0.00532386%)
linmin: converged after 3 iterations.
iteration 14: trace = 6.762138330078653 (0.00535172% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.762074172755888 (0.000948777% change)
large trace change predicted (0.00413001%)
linmin: converged after 3 iterations.
iteration 16: trace = 6.761792961235461 (0.00415874% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.761637719094955 (0.0022959% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.761443529734488 (0.00287197% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.76135434542317 (0.00131902% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.761311766874297 (0.000629736% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.761229363792483 (0.00121875% change)
linmin: converged after 5 iterations.
iteration 22: trace = 6.761215170610098 (0.00020992% change)
large trace change predicted (0.00157727%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.761108563625406 (0.00157676% change)
linmin: converged after 5 iterations.
iteration 24: trace = 6.761092201397894 (0.000242005% change)
large trace change predicted (0.00138267%)
linmin: converged after 4 iterations.
iteration 25: trace = 6.760998715872192 (0.00138271% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.760981371877431 (0.00025653% change)
large trace change predicted (0.000658079%)
linmin: converged after 3 iterations.
iteration 27: trace = 6.760936824920137 (0.000658885% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.760923447438236 (0.000197865% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.760910147592869 (0.000196717% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.760890311372713 (0.000293396% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.760887282168232 (4.48048e-05% change)
large trace change predicted (0.000191206%)
linmin: converged after 3 iterations.
iteration 32: trace = 6.760874346615541 (0.000191329% change)
linmin: converged after 14 iterations.
iteration 33: trace = 6.760867978531046 (9.41903e-05% change)
linmin: converged after 6 iterations.
iteration 34: trace = 6.760856625784806 (0.000167919% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.760852346347988 (6.32973e-05% change)
large trace change predicted (0.00015525%)
linmin: converged after 10 iterations.
iteration 36: trace = 6.760841857753364 (0.000155137% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.76083824537612 (5.34309e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.760832929740303 (7.86239e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.760829446462945 (5.15214e-05% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.760828407253998 (1.5371e-05% change)
large trace change predicted (5.882e-05%)
linmin: converged after 4 iterations.
iteration 41: trace = 6.760824431226565 (5.88098e-05% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.760823706351393 (1.07217e-05% change)
large trace change predicted (5.521e-05%)
linmin: converged after 5 iterations.
iteration 43: trace = 6.760819975268813 (5.51868e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.760818933583168 (1.54077e-05% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.760817397451483 (2.27211e-05% change)
linmin: converged after 5 iterations.
iteration 46: trace = 6.760816506038232 (1.3185e-05% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.760816128060983 (5.5907e-06% change)
large trace change predicted (1.42013e-05%)
linmin: converged after 3 iterations.
iteration 48: trace = 6.76081516794176 (1.42012e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.760815037114783 (1.93508e-06% change)
large trace change predicted (1.2274e-05%)
linmin: converged after 3 iterations.
iteration 50: trace = 6.760814207181001 (1.22756e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.760814122635201 (1.25053e-06% change)
large trace change predicted (7.52087e-06%)
linmin: converged after 5 iterations.
iteration 52: trace = 6.760813614112545 (7.52162e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 6.760813438657451 (2.59518e-06% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.760813112228708 (4.82825e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.760812964855113 (2.17982e-06% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.760812805891664 (2.35125e-06% change)
linmin: converged after 2 iterations.
iteration 57: trace = 6.760812667531352 (2.0465e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.76081262757927 (5.90936e-07% change)
large trace change predicted (1.7818e-06%)
linmin: converged after 31 iterations.
iteration 59: trace = 6.760812507117609 (1.78176e-06% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.760812489141085 (2.65893e-07% change)
large trace change predicted (1.67945e-06%)
linmin: converged after 3 iterations.
iteration 61: trace = 6.760812375599103 (1.67941e-06% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.760812364017938 (1.71298e-07% change)
large trace change predicted (7.34453e-07%)
linmin: converged after 3 iterations.
iteration 63: trace = 6.760812314362155 (7.34465e-07% change)
linmin: converged after 3 iterations.
iteration 64: trace = 6.760812300203789 (2.09418e-07% change)
large trace change predicted (4.297e-07%)
linmin: converged after 4 iterations.
iteration 65: trace = 6.760812271152631 (4.29699e-07% change)
linmin: converged after 2 iterations.
iteration 66: trace = 6.760812246336019 (3.67066e-07% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.76081223489381 (1.69243e-07% change)
large trace change predicted (3.52972e-07%)
linmin: converged after 2 iterations.
iteration 68: trace = 6.760812211029217 (3.52984e-07% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.760812207709524 (4.9102e-08% change)
resetting CG direction...
linmin: converged after 26 iterations.
iteration 70: trace = 6.760812205115937 (3.83621e-08% change)
large trace change predicted (1.10414e-07%)
linmin: converged after 13 iterations.
iteration 71: trace = 6.76081219765096 (1.10415e-07% change)
linmin: converged after 5 iterations.
iteration 72: trace = 6.760812193099664 (6.73188e-08% change)
linmin: converged after 10 iterations.
iteration 73: trace = 6.760812189419833 (5.44288e-08% change)
linmin: converged after 19 iterations.
iteration 74: trace = 6.760812183684703 (8.4829e-08% change)
linmin: converged after 19 iterations.
iteration 75: trace = 6.760812181798141 (2.79044e-08% change)
large trace change predicted (7.9846e-08%)
linmin: converged after 3 iterations.
iteration 76: trace = 6.760812176399958 (7.98452e-08% change)
linmin: converged after 22 iterations.
iteration 77: trace = 6.760812174751578 (2.43814e-08% change)
large trace change predicted (1.12482e-07%)
linmin: converged after 7 iterations.
iteration 78: trace = 6.760812167146861 (1.12482e-07% change)
linmin: converged after 6 iterations.
iteration 79: trace = 6.760812165135612 (2.97486e-08% change)
large trace change predicted (6.68494e-08%)
linmin: converged after 4 iterations.
iteration 80: trace = 6.760812160616077 (6.6849e-08% change)
linmin: converged after 7 iterations.
iteration 81: trace = 6.760812157149175 (5.12794e-08% change)
linmin: converged after 12 iterations.
iteration 82: trace = 6.760812155153886 (2.95126e-08% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.760812151447763 (5.48177e-08% change)
linmin: converged after 4 iterations.
iteration 84: trace = 6.760812149596605 (2.73807e-08% change)
linmin: converged after 32 iterations.
iteration 85: trace = 6.760812149144228 (6.69116e-09% change)
large trace change predicted (1.60166e-08%)
linmin: converged after 4 iterations.
iteration 86: trace = 6.76081214806138 (1.60165e-08% change)
linmin: converged after 6 iterations.
iteration 87: trace = 6.760812147844664 (3.20547e-09% change)
large trace change predicted (1.30127e-08%)
linmin: converged after 8 iterations.
iteration 88: trace = 6.76081214696491 (1.30125e-08% change)
linmin: converged after 7 iterations.
iteration 89: trace = 6.760812146818285 (2.16875e-09% change)
large trace change predicted (1.02578e-08%)
linmin: converged after 4 iterations.
iteration 90: trace = 6.760812146124769 (1.02579e-08% change)
linmin: converged after 14 iterations.
iteration 91: trace = 6.760812145778652 (5.11946e-09% change)
linmin: converged after 6 iterations.
iteration 92: trace = 6.760812145286503 (7.27943e-09% change)
linmin: converged after 18 iterations.
iteration 93: trace = 6.760812144857756 (6.34166e-09% change)
linmin: converged after 5 iterations.
iteration 94: trace = 6.760812144781973 (1.12091e-09% change)
large trace change predicted (3.99531e-09%)
linmin: converged after 4 iterations.
iteration 95: trace = 6.76081214451185 (3.99542e-09% change)
linmin: converged after 20 iterations.
iteration 96: trace = 6.760812144391321 (1.78276e-09% change)
linmin: converged after 15 iterations.
iteration 97: trace = 6.760812144325781 (9.69404e-10% change)
large trace change predicted (2.03564e-09%)
linmin: converged after 21 iterations.
iteration 98: trace = 6.760812144188145 (2.03579e-09% change)
linmin: converged after 9 iterations.
iteration 99: trace = 6.760812144171469 (2.46663e-10% change)
large trace change predicted (1.70611e-09%)
linmin: converged after 6 iterations.
iteration 100: trace = 6.76081214405612 (1.70615e-09% change)
linmin: converged after 3 iterations.
iteration 101: trace = 6.760812144045055 (1.6365e-10% change)
large trace change predicted (1.05652e-09%)
linmin: converged after 24 iterations.
iteration 102: trace = 6.76081214397362 (1.05661e-09% change)
linmin: converged after 15 iterations.
iteration 103: trace = 6.760812143935601 (5.62349e-10% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.760812143927473 (1.20218e-10% change)
large trace change predicted (6.25294e-10%)
linmin: converged after 7 iterations.
iteration 105: trace = 6.760812143885199 (6.25276e-10% change)
linmin: converged after 4 iterations.
iteration 106: trace = 6.760812143880038 (7.634e-11% change)
Finished solving for bands 1 to 8 after 106 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406
elapsed time for k point: 0.6568686962127686
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.812819628661698 (0.0683397% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.809521839523517 (0.0484174% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.806878732572187 (0.0388224% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.806531561470045 (0.00510043% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.805858812206997 (0.00988437% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.805278685201517 (0.0085243% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.805018736097988 (0.00381989% change)
large trace change predicted (0.00764423%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.804499759913973 (0.00762666% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.804166052150458 (0.00490434% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.803799208029116 (0.00539161% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.803510143991208 (0.00424866% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.803404288453464 (0.00155591% change)
large trace change predicted (0.00417121%)
linmin: converged after 3 iterations.
iteration 13: trace = 6.803119569090784 (0.00418504% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.802867680929271 (0.00370261% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.802805669214712 (0.000911557% change)
large trace change predicted (0.00372648%)
linmin: converged after 3 iterations.
iteration 16: trace = 6.802551006257156 (0.00374357% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.802508919730908 (0.000618689% change)
large trace change predicted (0.00153183%)
linmin: converged after 3 iterations.
iteration 18: trace = 6.802404656420902 (0.00153273% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.802277520532822 (0.001869% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.802247414155069 (0.000442594% change)
large trace change predicted (0.001287%)
linmin: converged after 3 iterations.
iteration 21: trace = 6.802159763861424 (0.00128856% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.80209711638325 (0.000920998% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.802077237360788 (0.000292249% change)
large trace change predicted (0.000723376%)
linmin: converged after 4 iterations.
iteration 24: trace = 6.802028031576383 (0.000723396% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.802006288669485 (0.000319654% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.801991481607076 (0.000217687% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.801969367927593 (0.000325106% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.801957903045565 (0.000168553% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.801951813831908 (8.95215e-05% change)
large trace change predicted (0.000209749%)
linmin: converged after 3 iterations.
iteration 30: trace = 6.801937548635867 (0.000209722% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.801934525942378 (4.44387e-05% change)
large trace change predicted (0.000222054%)
linmin: converged after 5 iterations.
iteration 32: trace = 6.801919425329486 (0.000222005% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.801915441680219 (5.85666e-05% change)
large trace change predicted (0.0001179%)
linmin: converged after 4 iterations.
iteration 34: trace = 6.801907423888882 (0.000117876% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.801902761556573 (6.85445e-05% change)
linmin: converged after 4 iterations.
iteration 36: trace = 6.801901494015955 (1.86351e-05% change)
large trace change predicted (5.41487e-05%)
linmin: converged after 5 iterations.
iteration 37: trace = 6.801897811034239 (5.41464e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.801895866748854 (2.85845e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.801893985482835 (2.7658e-05% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.80189147262107 (3.69436e-05% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.801890700845299 (1.13465e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.801889235431657 (2.15442e-05% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.801888224442996 (1.48634e-05% change)
linmin: converged after 20 iterations.
iteration 44: trace = 6.801887980840492 (3.5814e-06% change)
large trace change predicted (7.42495e-06%)
linmin: converged after 3 iterations.
iteration 45: trace = 6.801887475818182 (7.42474e-06% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.801887185178447 (4.27293e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.801886748234615 (6.42386e-06% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.801885976399346 (1.13474e-05% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.801885695022007 (4.13675e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 6.801885358625245 (4.94564e-06% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.801885217423139 (2.07593e-06% change)
linmin: converged after 17 iterations.
iteration 52: trace = 6.801885140510589 (1.13075e-06% change)
linmin: converged after 23 iterations.
iteration 53: trace = 6.8018850178674 (1.80308e-06% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.801884972661144 (6.64614e-07% change)
large trace change predicted (1.67237e-06%)
linmin: converged after 2 iterations.
iteration 55: trace = 6.801884858907663 (1.67238e-06% change)
linmin: converged after 5 iterations.
iteration 56: trace = 6.801884766735803 (1.35509e-06% change)
linmin: converged after 6 iterations.
iteration 57: trace = 6.801884743365361 (3.43588e-07% change)
large trace change predicted (7.51348e-07%)
linmin: converged after 2 iterations.
iteration 58: trace = 6.801884692259104 (7.51354e-07% change)
linmin: converged after 7 iterations.
iteration 59: trace = 6.801884672406457 (2.9187e-07% change)
linmin: converged after 6 iterations.
iteration 60: trace = 6.801884645652149 (3.93337e-07% change)
linmin: converged after 3 iterations.
iteration 61: trace = 6.801884622534045 (3.39878e-07% change)
linmin: converged after 15 iterations.
iteration 62: trace = 6.801884613615423 (1.3112e-07% change)
large trace change predicted (2.88122e-07%)
linmin: converged after 3 iterations.
iteration 63: trace = 6.801884594016905 (2.88134e-07% change)
linmin: converged after 8 iterations.
iteration 64: trace = 6.801884584516095 (1.39679e-07% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.801884576469059 (1.18306e-07% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.80188456659482 (1.45169e-07% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.801884562881307 (5.45954e-08% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.801884555493325 (1.08617e-07% change)
linmin: converged after 2 iterations.
iteration 69: trace = 6.801884549058733 (9.46001e-08% change)
resetting CG direction...
linmin: converged after 15 iterations.
iteration 70: trace = 6.801884547554034 (2.21218e-08% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.801884545383357 (3.19129e-08% change)
linmin: converged after 8 iterations.
iteration 72: trace = 6.801884544195199 (1.74681e-08% change)
linmin: converged after 6 iterations.
iteration 73: trace = 6.80188454315787 (1.52506e-08% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.801884541809432 (1.98245e-08% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.801884541427446 (5.61588e-09% change)
large trace change predicted (1.89351e-08%)
linmin: converged after 4 iterations.
iteration 76: trace = 6.801884540139519 (1.89349e-08% change)
linmin: converged after 5 iterations.
iteration 77: trace = 6.801884539692212 (6.57622e-09% change)
linmin: converged after 7 iterations.
iteration 78: trace = 6.801884539101566 (8.68356e-09% change)
linmin: converged after 9 iterations.
iteration 79: trace = 6.801884538450174 (9.57664e-09% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.801884538253588 (2.89018e-09% change)
large trace change predicted (1.02646e-08%)
linmin: converged after 4 iterations.
iteration 81: trace = 6.8018845375554 (1.02646e-08% change)
linmin: converged after 22 iterations.
iteration 82: trace = 6.801884537150822 (5.94804e-09% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.801884536946329 (3.00641e-09% change)
linmin: converged after 4 iterations.
iteration 84: trace = 6.801884536587771 (5.27146e-09% change)
linmin: converged after 23 iterations.
iteration 85: trace = 6.801884536358836 (3.36576e-09% change)
linmin: converged after 7 iterations.
iteration 86: trace = 6.801884536234699 (1.82504e-09% change)
linmin: converged after 14 iterations.
iteration 87: trace = 6.801884536094423 (2.0623e-09% change)
linmin: converged after 21 iterations.
iteration 88: trace = 6.80188453605223 (6.20325e-10% change)
large trace change predicted (1.76175e-09%)
linmin: converged after 16 iterations.
iteration 89: trace = 6.801884535932403 (1.76167e-09% change)
linmin: converged after 3 iterations.
iteration 90: trace = 6.801884535896058 (5.34339e-10% change)
large trace change predicted (1.18821e-09%)
linmin: converged after 6 iterations.
iteration 91: trace = 6.801884535815229 (1.18833e-09% change)
linmin: converged after 4 iterations.
iteration 92: trace = 6.801884535775458 (5.84703e-10% change)
linmin: converged after 16 iterations.
iteration 93: trace = 6.80188453576309 (1.8183e-10% change)
large trace change predicted (4.52487e-10%)
linmin: converged after 3 iterations.
iteration 94: trace = 6.801884535732312 (4.52493e-10% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.801884535718283 (2.06248e-10% change)
linmin: converged after 2 iterations.
iteration 96: trace = 6.80188453570752 (1.58235e-10% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.80188453569156 (2.34649e-10% change)
linmin: converged after 10 iterations.
iteration 98: trace = 6.801884535683443 (1.19335e-10% change)
linmin: converged after 7 iterations.
iteration 99: trace = 6.801884535667818 (2.29713e-10% change)
linmin: converged after 12 iterations.
iteration 100: trace = 6.801884535652636 (2.23197e-10% change)
linmin: converged after 5 iterations.
iteration 101: trace = 6.801884535649821 (4.13933e-11% change)
Finished solving for bands 1 to 8 after 101 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351
elapsed time for k point: 0.6256673336029053
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.925882038649622 (0.0869782% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.922922600920973 (0.0427393% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.920648510496537 (0.0328541% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.919688753726099 (0.013869% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.919278633938682 (0.00592703% change)
large trace change predicted (0.014567%)
linmin: converged after 4 iterations.
iteration 6: trace = 6.918274802967817 (0.0145088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.917573100309901 (0.0101433% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.91717052878642 (0.00581972% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.916380857969879 (0.0114167% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.915938511134318 (0.00639584% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.915627903828851 (0.00449128% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.915057595408163 (0.008247% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.914570533658709 (0.00704374% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.914423410976549 (0.00212774% change)
large trace change predicted (0.00433686%)
linmin: converged after 3 iterations.
iteration 15: trace = 6.914122172538979 (0.00435676% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.913960745971044 (0.00233476% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.913682738645422 (0.00402104% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.91356962437949 (0.00163611% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.913343496481604 (0.00327084% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.913262827542797 (0.00116687% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.913199855061523 (0.000910898% change)
linmin: converged after 5 iterations.
iteration 22: trace = 6.913142013102168 (0.000836692% change)
linmin: converged after 5 iterations.
iteration 23: trace = 6.913115926418768 (0.00037735% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.91309050341241 (0.000367751% change)
linmin: converged after 5 iterations.
iteration 25: trace = 6.913046686141634 (0.000633832% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.913020078791096 (0.000384887% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.913001671860747 (0.000266265% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.912976103550035 (0.000369859% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.912965350980596 (0.000155542% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.912958048248399 (0.000105638% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.912946398606992 (0.000168519% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.912938892000731 (0.000108588% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.912933382900912 (7.96926e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.912927765762557 (8.12555e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 6.912925419569552 (3.39392e-05% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.912923360114467 (2.97914e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.912920250075139 (4.49888e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.912919169456714 (1.56319e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.912917519066674 (2.3874e-05% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.912916315539269 (1.74098e-05% change)
linmin: converged after 17 iterations.
iteration 41: trace = 6.912915794332187 (7.53961e-06% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.912915207571654 (8.48789e-06% change)
linmin: converged after 2 iterations.
iteration 43: trace = 6.912914545833006 (9.5725e-06% change)
linmin: converged after 2 iterations.
iteration 44: trace = 6.912914247706847 (4.3126e-06% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.912913753212571 (7.1532e-06% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.912913163886589 (8.525e-06% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.912912853153032 (4.49497e-06% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.912912671740704 (2.62425e-06% change)
linmin: converged after 11 iterations.
iteration 49: trace = 6.912912518892522 (2.21105e-06% change)
linmin: converged after 8 iterations.
iteration 50: trace = 6.912912394741083 (1.79594e-06% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.912912299273549 (1.381e-06% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.912912139298289 (2.31415e-06% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.912912089732205 (7.17007e-07% change)
linmin: converged after 6 iterations.
iteration 54: trace = 6.912911998991057 (1.31263e-06% change)
linmin: converged after 13 iterations.
iteration 55: trace = 6.912911935450525 (9.19157e-07% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.912911890746691 (6.46672e-07% change)
linmin: converged after 7 iterations.
iteration 57: trace = 6.912911840091572 (7.32761e-07% change)
linmin: converged after 23 iterations.
iteration 58: trace = 6.912911788980286 (7.3936e-07% change)
linmin: converged after 13 iterations.
iteration 59: trace = 6.912911777301217 (1.68946e-07% change)
large trace change predicted (3.75959e-07%)
linmin: converged after 4 iterations.
iteration 60: trace = 6.912911751311498 (3.75959e-07% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.912911731156905 (2.9155e-07% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.912911716265699 (2.15411e-07% change)
large trace change predicted (4.65098e-07%)
linmin: converged after 5 iterations.
iteration 63: trace = 6.912911684115905 (4.65069e-07% change)
linmin: converged after 25 iterations.
iteration 64: trace = 6.912911662399061 (3.14149e-07% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.912911652296632 (1.46139e-07% change)
linmin: converged after 8 iterations.
iteration 66: trace = 6.912911642987268 (1.34666e-07% change)
linmin: converged after 3 iterations.
iteration 67: trace = 6.912911630407877 (1.8197e-07% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.912911622204324 (1.1867e-07% change)
large trace change predicted (3.31162e-07%)
linmin: converged after 6 iterations.
iteration 69: trace = 6.912911599310582 (3.31174e-07% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 6.91291158715795 (1.75796e-07% change)
linmin: converged after 9 iterations.
iteration 71: trace = 6.912911579317613 (1.13416e-07% change)
linmin: converged after 21 iterations.
iteration 72: trace = 6.912911566843272 (1.8045e-07% change)
linmin: converged after 8 iterations.
iteration 73: trace = 6.912911546531986 (2.93817e-07% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.912911524245919 (3.22383e-07% change)
large trace change predicted (3.42786e-06%)
linmin: converged after 4 iterations.
iteration 75: trace = 6.912911287072744 (3.43087e-06% change)
near maximum in trace
linmin: converged after 11 iterations.
iteration 76: trace = 6.909888069531068 (0.0437425% change)
linmin: converged after 9 iterations.
iteration 77: trace = 6.909887784314146 (4.12766e-06% change)
linmin: converged after 7 iterations.
iteration 78: trace = 6.909887500338854 (4.10969e-06% change)
linmin: converged after 14 iterations.
iteration 79: trace = 6.909887217639132 (4.09123e-06% change)
linmin: converged after 7 iterations.
iteration 80: trace = 6.909886936250768 (4.07226e-06% change)
linmin: converged after 8 iterations.
iteration 81: trace = 6.909886656139765 (4.05377e-06% change)
linmin: converged after 17 iterations.
iteration 82: trace = 6.909886377358567 (4.03453e-06% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.909886099873157 (4.01577e-06% change)
linmin: converged after 5 iterations.
iteration 84: trace = 6.909885823729661 (3.99635e-06% change)
linmin: converged after 8 iterations.
iteration 85: trace = 6.909885548913243 (3.97715e-06% change)
linmin: converged after 7 iterations.
iteration 86: trace = 6.909885275421666 (3.95798e-06% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.909885003270273 (3.93858e-06% change)
linmin: converged after 7 iterations.
iteration 88: trace = 6.909884732454676 (3.91925e-06% change)
linmin: converged after 4 iterations.
iteration 89: trace = 6.909884462957761 (3.90017e-06% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.909884194815677 (3.88056e-06% change)
linmin: converged after 9 iterations.
iteration 91: trace = 6.909883928009607 (3.86122e-06% change)
linmin: converged after 7 iterations.
iteration 92: trace = 6.909883662522455 (3.84214e-06% change)
linmin: converged after 5 iterations.
iteration 93: trace = 6.909883398382966 (3.82263e-06% change)
linmin: converged after 5 iterations.
iteration 94: trace = 6.909883135572693 (3.8034e-06% change)
linmin: converged after 11 iterations.
iteration 95: trace = 6.909882874088034 (3.78421e-06% change)
linmin: converged after 9 iterations.
iteration 96: trace = 6.909882613924315 (3.7651e-06% change)
linmin: converged after 14 iterations.
iteration 97: trace = 6.909882355073152 (3.7461e-06% change)
linmin: converged after 12 iterations.
iteration 98: trace = 6.909882097524109 (3.72726e-06% change)
linmin: converged after 9 iterations.
iteration 99: trace = 6.909881841295443 (3.70815e-06% change)
linmin: converged after 11 iterations.
iteration 100: trace = 6.909881586353091 (3.68953e-06% change)
linmin: converged after 6 iterations.
iteration 101: trace = 6.909881332717889 (3.67062e-06% change)
linmin: converged after 14 iterations.
iteration 102: trace = 6.9098810803694 (3.65199e-06% change)
linmin: converged after 6 iterations.
iteration 103: trace = 6.909880829294897 (3.63356e-06% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.909880579485906 (3.61524e-06% change)
linmin: converged after 6 iterations.
iteration 105: trace = 6.909880330953644 (3.59677e-06% change)
linmin: converged after 5 iterations.
iteration 106: trace = 6.909880083666328 (3.57875e-06% change)
linmin: converged after 5 iterations.
iteration 107: trace = 6.909879837638996 (3.56052e-06% change)
linmin: converged after 5 iterations.
iteration 108: trace = 6.909879592851689 (3.54257e-06% change)
linmin: converged after 9 iterations.
iteration 109: trace = 6.909879349295867 (3.52475e-06% change)
linmin: converged after 7 iterations.
iteration 110: trace = 6.909879106952831 (3.5072e-06% change)
linmin: converged after 5 iterations.
iteration 111: trace = 6.909878865833756 (3.48948e-06% change)
linmin: converged after 12 iterations.
iteration 112: trace = 6.909878625919669 (3.47204e-06% change)
linmin: converged after 6 iterations.
iteration 113: trace = 6.909878387191959 (3.45488e-06% change)
linmin: converged after 4 iterations.
iteration 114: trace = 6.909878149651229 (3.4377e-06% change)
linmin: converged after 8 iterations.
iteration 115: trace = 6.909877913297339 (3.42052e-06% change)
linmin: converged after 6 iterations.
iteration 116: trace = 6.90987767810282 (3.40374e-06% change)
linmin: converged after 5 iterations.
iteration 117: trace = 6.909877444075966 (3.38685e-06% change)
linmin: converged after 8 iterations.
iteration 118: trace = 6.909877211198532 (3.37021e-06% change)
linmin: converged after 6 iterations.
iteration 119: trace = 6.909876979452967 (3.35383e-06% change)
linmin: converged after 5 iterations.
iteration 120: trace = 6.909876748846052 (3.33735e-06% change)
linmin: converged after 6 iterations.
iteration 121: trace = 6.90987651936019 (3.32113e-06% change)
linmin: converged after 5 iterations.
iteration 122: trace = 6.909876290978394 (3.30515e-06% change)
linmin: converged after 14 iterations.
iteration 123: trace = 6.909876063706172 (3.28909e-06% change)
linmin: converged after 6 iterations.
iteration 124: trace = 6.909875837526572 (3.27328e-06% change)
linmin: converged after 4 iterations.
iteration 125: trace = 6.909875612423232 (3.2577e-06% change)
linmin: converged after 14 iterations.
iteration 126: trace = 6.909875388400514 (3.24207e-06% change)
linmin: converged after 14 iterations.
iteration 127: trace = 6.909875165442156 (3.22666e-06% change)
linmin: converged after 7 iterations.
iteration 128: trace = 6.909874943538734 (3.2114e-06% change)
linmin: converged after 5 iterations.
iteration 129: trace = 6.90987472268094 (3.19626e-06% change)
linmin: converged after 6 iterations.
iteration 130: trace = 6.909874502859484 (3.18127e-06% change)
linmin: converged after 6 iterations.
iteration 131: trace = 6.909874284059315 (3.16649e-06% change)
linmin: converged after 8 iterations.
iteration 132: trace = 6.90987406627721 (3.15175e-06% change)
linmin: converged after 7 iterations.
iteration 133: trace = 6.909873849504065 (3.13715e-06% change)
linmin: converged after 7 iterations.
iteration 134: trace = 6.909873633736144 (3.1226e-06% change)
linmin: converged after 6 iterations.
iteration 135: trace = 6.909873418958933 (3.10827e-06% change)
linmin: converged after 6 iterations.
iteration 136: trace = 6.909873205158356 (3.09413e-06% change)
linmin: converged after 6 iterations.
iteration 137: trace = 6.909872992335758 (3.07998e-06% change)
linmin: converged after 6 iterations.
iteration 138: trace = 6.909872780477195 (3.06603e-06% change)
linmin: converged after 8 iterations.
iteration 139: trace = 6.909872569573944 (3.0522e-06% change)
resetting CG direction...
large trace change predicted (0.146065%)
linmin: converged after 6 iterations.
iteration 140: trace = 6.900112807874646 (0.141344% change)
linmin: converged after 4 iterations.
iteration 141: trace = 6.886754650031223 (0.193781% change)
linmin: converged after 4 iterations.
iteration 142: trace = 6.877135062572776 (0.13978% change)
linmin: converged after 3 iterations.
iteration 143: trace = 6.870506267082638 (0.0964354% change)
linmin: converged after 4 iterations.
iteration 144: trace = 6.860551169816624 (0.145001% change)
linmin: converged after 4 iterations.
iteration 145: trace = 6.850685274511307 (0.14391% change)
linmin: converged after 4 iterations.
iteration 146: trace = 6.843740497784712 (0.101425% change)
large trace change predicted (0.309023%)
linmin: converged after 5 iterations.
iteration 147: trace = 6.823623760537448 (0.294376% change)
linmin: converged after 4 iterations.
iteration 148: trace = 6.812400398950951 (0.164613% change)
linmin: converged after 4 iterations.
iteration 149: trace = 6.804952571758172 (0.109387% change)
linmin: converged after 4 iterations.
iteration 150: trace = 6.792622572528646 (0.181356% change)
linmin: converged after 3 iterations.
iteration 151: trace = 6.786226468461249 (0.0942069% change)
linmin: converged after 4 iterations.
iteration 152: trace = 6.774034327979193 (0.179822% change)
linmin: converged after 4 iterations.
iteration 153: trace = 6.763597790162811 (0.154186% change)
linmin: converged after 4 iterations.
iteration 154: trace = 6.751468321352629 (0.179496% change)
linmin: converged after 4 iterations.
iteration 155: trace = 6.744733604502644 (0.0998017% change)
linmin: converged after 4 iterations.
iteration 156: trace = 6.736517955733518 (0.121883% change)
linmin: converged after 4 iterations.
iteration 157: trace = 6.730507893032328 (0.089256% change)
linmin: converged after 4 iterations.
iteration 158: trace = 6.725610070146183 (0.072797% change)
linmin: converged after 3 iterations.
iteration 159: trace = 6.720070429549343 (0.0824003% change)
linmin: converged after 4 iterations.
iteration 160: trace = 6.716398936957599 (0.0546497% change)
linmin: converged after 4 iterations.
iteration 161: trace = 6.711723245098755 (0.0696403% change)
linmin: converged after 3 iterations.
iteration 162: trace = 6.708465862307571 (0.0485445% change)
linmin: converged after 3 iterations.
iteration 163: trace = 6.705377631218511 (0.0460454% change)
linmin: converged after 3 iterations.
iteration 164: trace = 6.7019681115547 (0.0508605% change)
linmin: converged after 14 iterations.
iteration 165: trace = 6.699720408550249 (0.0335436% change)
linmin: converged after 3 iterations.
iteration 166: trace = 6.697586295582607 (0.0318588% change)
linmin: converged after 3 iterations.
iteration 167: trace = 6.695563917062481 (0.0302002% change)
linmin: converged after 3 iterations.
iteration 168: trace = 6.69318995521045 (0.035462% change)
linmin: converged after 4 iterations.
iteration 169: trace = 6.691847708888887 (0.0200559% change)
linmin: converged after 3 iterations.
iteration 170: trace = 6.689836878793695 (0.0300535% change)
linmin: converged after 3 iterations.
iteration 171: trace = 6.68897407054505 (0.0128981% change)
linmin: converged after 3 iterations.
iteration 172: trace = 6.687710436118384 (0.0188931% change)
linmin: converged after 3 iterations.
iteration 173: trace = 6.687077366461639 (0.00946661% change)
linmin: converged after 3 iterations.
iteration 174: trace = 6.686055406055767 (0.0152838% change)
linmin: converged after 3 iterations.
iteration 175: trace = 6.685450523046256 (0.00904734% change)
linmin: converged after 3 iterations.
iteration 176: trace = 6.684549996350713 (0.0134709% change)
linmin: converged after 3 iterations.
iteration 177: trace = 6.684090730238815 (0.0068708% change)
linmin: converged after 3 iterations.
iteration 178: trace = 6.683536768548096 (0.00828811% change)
linmin: converged after 3 iterations.
iteration 179: trace = 6.683209332057007 (0.00489927% change)
linmin: converged after 3 iterations.
iteration 180: trace = 6.682804628345735 (0.00605571% change)
linmin: converged after 3 iterations.
iteration 181: trace = 6.682500737701841 (0.00454746% change)
linmin: converged after 6 iterations.
iteration 182: trace = 6.682187984963646 (0.00468028% change)
linmin: converged after 3 iterations.
iteration 183: trace = 6.681941626589951 (0.00368686% change)
linmin: converged after 3 iterations.
iteration 184: trace = 6.681749517040164 (0.0028751% change)
linmin: converged after 3 iterations.
iteration 185: trace = 6.681583318928936 (0.00248738% change)
linmin: converged after 5 iterations.
iteration 186: trace = 6.681435949572898 (0.00220563% change)
linmin: converged after 3 iterations.
iteration 187: trace = 6.681306362279191 (0.00193953% change)
linmin: converged after 5 iterations.
iteration 188: trace = 6.68118616255739 (0.00179906% change)
linmin: converged after 3 iterations.
iteration 189: trace = 6.681029168186527 (0.00234983% change)
linmin: converged after 4 iterations.
iteration 190: trace = 6.68091788698604 (0.00166564% change)
linmin: converged after 4 iterations.
iteration 191: trace = 6.680793007016501 (0.00186922% change)
linmin: converged after 3 iterations.
iteration 192: trace = 6.680698925300111 (0.00140825% change)
linmin: converged after 3 iterations.
iteration 193: trace = 6.680603490590562 (0.00142852% change)
linmin: converged after 3 iterations.
iteration 194: trace = 6.680555992876951 (0.000710982% change)
linmin: converged after 3 iterations.
iteration 195: trace = 6.680497530806602 (0.000875112% change)
linmin: converged after 4 iterations.
iteration 196: trace = 6.680465917269473 (0.000473222% change)
linmin: converged after 5 iterations.
iteration 197: trace = 6.680419024356515 (0.000701943% change)
linmin: converged after 3 iterations.
iteration 198: trace = 6.680388053627762 (0.000463606% change)
linmin: converged after 3 iterations.
iteration 199: trace = 6.680345252324641 (0.000640703% change)
linmin: converged after 4 iterations.
iteration 200: trace = 6.680315656044407 (0.000443036% change)
linmin: converged after 13 iterations.
iteration 201: trace = 6.680273977133462 (0.000623908% change)
linmin: converged after 3 iterations.
iteration 202: trace = 6.680252940741233 (0.000314904% change)
linmin: converged after 4 iterations.
iteration 203: trace = 6.680221024379043 (0.000477773% change)
linmin: converged after 3 iterations.
iteration 204: trace = 6.680206060237897 (0.000224007% change)
linmin: converged after 3 iterations.
iteration 205: trace = 6.680188908244978 (0.000256759% change)
linmin: converged after 3 iterations.
iteration 206: trace = 6.680180723571723 (0.000122522% change)
linmin: converged after 3 iterations.
iteration 207: trace = 6.680167171789034 (0.000202866% change)
linmin: converged after 3 iterations.
iteration 208: trace = 6.680160724540633 (9.65133e-05% change)
linmin: converged after 3 iterations.
iteration 209: trace = 6.680149211613839 (0.000172345% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 210: trace = 6.680141306405188 (0.000118339% change)
linmin: converged after 4 iterations.
iteration 211: trace = 6.680129707104666 (0.000173639% change)
linmin: converged after 4 iterations.
iteration 212: trace = 6.680117724787703 (0.000179373% change)
linmin: converged after 3 iterations.
iteration 213: trace = 6.680112548768048 (7.7484e-05% change)
linmin: converged after 4 iterations.
iteration 214: trace = 6.680102826504739 (0.000145541% change)
linmin: converged after 10 iterations.
iteration 215: trace = 6.680094664191323 (0.000122189% change)
linmin: converged after 3 iterations.
iteration 216: trace = 6.680091552906312 (4.65755e-05% change)
linmin: converged after 4 iterations.
iteration 217: trace = 6.680087526994608 (6.02673e-05% change)
linmin: converged after 4 iterations.
iteration 218: trace = 6.680084055736089 (5.19643e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 6.680083094998932 (1.43821e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 6.680081318393286 (2.65956e-05% change)
linmin: converged after 2 iterations.
iteration 221: trace = 6.680079323617409 (2.98616e-05% change)
linmin: converged after 4 iterations.
iteration 222: trace = 6.680077671618371 (2.47302e-05% change)
linmin: converged after 4 iterations.
iteration 223: trace = 6.680075761057959 (2.86009e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 6.680073835787651 (2.88211e-05% change)
linmin: converged after 4 iterations.
iteration 225: trace = 6.680073222712853 (9.17767e-06% change)
linmin: converged after 3 iterations.
iteration 226: trace = 6.680072529492016 (1.03774e-05% change)
linmin: converged after 4 iterations.
iteration 227: trace = 6.680071660450433 (1.30095e-05% change)
linmin: converged after 4 iterations.
iteration 228: trace = 6.680071348592291 (4.66849e-06% change)
linmin: converged after 3 iterations.
iteration 229: trace = 6.680070763749358 (8.75504e-06% change)
linmin: converged after 2 iterations.
iteration 230: trace = 6.680070265447124 (7.45954e-06% change)
linmin: converged after 4 iterations.
iteration 231: trace = 6.680069810866106 (6.80503e-06% change)
linmin: converged after 3 iterations.
iteration 232: trace = 6.680069647127132 (2.45116e-06% change)
large trace change predicted (5.89221e-06%)
linmin: converged after 2 iterations.
iteration 233: trace = 6.680069253517108 (5.8923e-06% change)
linmin: converged after 4 iterations.
iteration 234: trace = 6.680068947926481 (4.57466e-06% change)
linmin: converged after 2 iterations.
iteration 235: trace = 6.680068802272046 (2.18043e-06% change)
linmin: converged after 13 iterations.
iteration 236: trace = 6.680068641203307 (2.41118e-06% change)
linmin: converged after 5 iterations.
iteration 237: trace = 6.680068538496874 (1.53751e-06% change)
linmin: converged after 5 iterations.
iteration 238: trace = 6.680068501532514 (5.53353e-07% change)
linmin: converged after 3 iterations.
iteration 239: trace = 6.680068438512994 (9.43396e-07% change)
linmin: converged after 5 iterations.
iteration 240: trace = 6.680068379295211 (8.86485e-07% change)
linmin: converged after 11 iterations.
iteration 241: trace = 6.680068348463998 (4.6154e-07% change)
linmin: converged after 4 iterations.
iteration 242: trace = 6.68006830935616 (5.85441e-07% change)
linmin: converged after 4 iterations.
iteration 243: trace = 6.680068281396476 (4.18554e-07% change)
linmin: converged after 5 iterations.
iteration 244: trace = 6.680068269147787 (1.83362e-07% change)
linmin: converged after 5 iterations.
iteration 245: trace = 6.6800682516701 (2.61639e-07% change)
linmin: converged after 6 iterations.
iteration 246: trace = 6.680068231541936 (3.01317e-07% change)
linmin: converged after 4 iterations.
iteration 247: trace = 6.68006822014569 (1.70601e-07% change)
linmin: converged after 4 iterations.
iteration 248: trace = 6.680068214812728 (7.9834e-08% change)
linmin: converged after 4 iterations.
iteration 249: trace = 6.680068207046533 (1.16259e-07% change)
linmin: converged after 7 iterations.
iteration 250: trace = 6.68006819870077 (1.24935e-07% change)
linmin: converged after 4 iterations.
iteration 251: trace = 6.680068195620726 (4.6108e-08% change)
linmin: converged after 4 iterations.
iteration 252: trace = 6.680068190690411 (7.38064e-08% change)
linmin: converged after 6 iterations.
iteration 253: trace = 6.680068188124061 (3.8418e-08% change)
linmin: converged after 31 iterations.
iteration 254: trace = 6.680068186230165 (2.83514e-08% change)
linmin: converged after 4 iterations.
iteration 255: trace = 6.680068183548971 (4.01372e-08% change)
linmin: converged after 6 iterations.
iteration 256: trace = 6.680068181084417 (3.68941e-08% change)
linmin: converged after 9 iterations.
iteration 257: trace = 6.680068180529753 (8.30327e-09% change)
linmin: converged after 4 iterations.
iteration 258: trace = 6.680068179648179 (1.31971e-08% change)
linmin: converged after 10 iterations.
iteration 259: trace = 6.680068178936502 (1.06538e-08% change)
linmin: converged after 7 iterations.
iteration 260: trace = 6.680068178568506 (5.50886e-09% change)
linmin: converged after 7 iterations.
iteration 261: trace = 6.680068178358582 (3.14255e-09% change)
linmin: converged after 5 iterations.
iteration 262: trace = 6.680068178086279 (4.07635e-09% change)
linmin: converged after 4 iterations.
iteration 263: trace = 6.680068177950682 (2.02987e-09% change)
linmin: converged after 4 iterations.
iteration 264: trace = 6.680068177805048 (2.18012e-09% change)
linmin: converged after 4 iterations.
iteration 265: trace = 6.680068177579251 (3.38016e-09% change)
linmin: converged after 21 iterations.
iteration 266: trace = 6.680068177456648 (1.83536e-09% change)
linmin: converged after 22 iterations.
iteration 267: trace = 6.680068177411629 (6.73932e-10% change)
large trace change predicted (1.36988e-09%)
linmin: converged after 4 iterations.
iteration 268: trace = 6.680068177320161 (1.36927e-09% change)
linmin: converged after 3 iterations.
iteration 269: trace = 6.680068177254681 (9.80231e-10% change)
linmin: converged after 11 iterations.
iteration 270: trace = 6.680068177226591 (4.20498e-10% change)
linmin: converged after 13 iterations.
iteration 271: trace = 6.68006817717807 (7.26358e-10% change)
linmin: converged after 4 iterations.
iteration 272: trace = 6.680068177149542 (4.27053e-10% change)
linmin: converged after 15 iterations.
iteration 273: trace = 6.680068177134154 (2.30366e-10% change)
linmin: converged after 7 iterations.
iteration 274: trace = 6.680068177119505 (2.1929e-10% change)
linmin: converged after 16 iterations.
iteration 275: trace = 6.68006817709515 (3.64588e-10% change)
linmin: converged after 4 iterations.
iteration 276: trace = 6.680068177089201 (8.90696e-11% change)
Finished solving for bands 1 to 8 after 276 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133
elapsed time for k point: 1.7057886123657227
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.654587647107056 (0.0686622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.650159867781105 (0.0665594% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.648179278398916 (0.029787% change)
linmin: converged after 11 iterations.
iteration 4: trace = 6.64753428827374 (0.00970223% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.646966711507838 (0.00853852% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.645994103904903 (0.0146334% change)
linmin: converged after 7 iterations.
iteration 7: trace = 6.645304795434273 (0.0103723% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.644933112305865 (0.00559333% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.644423384405195 (0.00767122% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.644201201600824 (0.00334395% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.643990357561754 (0.0031734% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.643843598182427 (0.00220893% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.643564792914024 (0.00419653% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.643279683137933 (0.00429161% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.643071635833856 (0.00313174% change)
linmin: converged after 13 iterations.
iteration 16: trace = 6.642974802986185 (0.00145766% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.642909152389527 (0.000988276% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.642890198485007 (0.000285326% change)
linmin: converged after 5 iterations.
iteration 19: trace = 6.642868869752618 (0.000321077% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.642841265095529 (0.000415554% change)
linmin: converged after 7 iterations.
iteration 21: trace = 6.642822909072448 (0.000276328% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.642805067487298 (0.000268585% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.642791440630938 (0.000205137% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.642785629385782 (8.7482e-05% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.642782972183236 (4.00013e-05% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.642780011656292 (4.45676e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.642778218592625 (2.69927e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.642777034519781 (1.7825e-05% change)
large trace change predicted (3.72542e-05%)
linmin: converged after 5 iterations.
iteration 29: trace = 6.642774560797502 (3.72393e-05% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.642773636337617 (1.39168e-05% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.642772723116847 (1.37476e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.642771828275745 (1.34709e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.6427708758641 (1.43376e-05% change)
linmin: converged after 4 iterations.
iteration 34: trace = 6.642770554213544 (4.84211e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 6.642770128476467 (6.40903e-06% change)
linmin: converged after 4 iterations.
iteration 36: trace = 6.642769885792485 (3.65336e-06% change)
linmin: converged after 14 iterations.
iteration 37: trace = 6.64276977675445 (1.64145e-06% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.642769636190063 (2.11605e-06% change)
linmin: converged after 2 iterations.
iteration 39: trace = 6.64276952993943 (1.59949e-06% change)
linmin: converged after 6 iterations.
iteration 40: trace = 6.642769482550485 (7.13391e-07% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.642769417347201 (9.81568e-07% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.642769380718978 (5.514e-07% change)
linmin: converged after 5 iterations.
iteration 43: trace = 6.642769352341737 (4.2719e-07% change)
linmin: converged after 15 iterations.
iteration 44: trace = 6.642769335010302 (2.60907e-07% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.642769308420513 (4.00282e-07% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.642769295753125 (1.90694e-07% change)
linmin: converged after 7 iterations.
iteration 47: trace = 6.642769286124278 (1.44952e-07% change)
linmin: converged after 2 iterations.
iteration 48: trace = 6.642769278116051 (1.20556e-07% change)
linmin: converged after 15 iterations.
iteration 49: trace = 6.642769268635163 (1.42725e-07% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.642769264679356 (5.95506e-08% change)
linmin: converged after 2 iterations.
iteration 51: trace = 6.642769258364048 (9.50704e-08% change)
linmin: converged after 2 iterations.
iteration 52: trace = 6.642769255028356 (5.02154e-08% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.642769253596793 (2.15507e-08% change)
linmin: converged after 6 iterations.
iteration 54: trace = 6.642769251332918 (3.40803e-08% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.64276925007824 (1.88879e-08% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.642769249336583 (1.11649e-08% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.642769248110906 (1.84513e-08% change)
linmin: converged after 10 iterations.
iteration 58: trace = 6.642769246939288 (1.76375e-08% change)
linmin: converged after 2 iterations.
iteration 59: trace = 6.642769246530508 (6.15375e-09% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.642769246056794 (7.13128e-09% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.642769245799189 (3.87797e-09% change)
linmin: converged after 12 iterations.
iteration 62: trace = 6.642769245597216 (3.0405e-09% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.64276924536166 (3.54604e-09% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.642769245063349 (4.49077e-09% change)
linmin: converged after 21 iterations.
iteration 65: trace = 6.642769244986269 (1.16035e-09% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.642769244866158 (1.80815e-09% change)
linmin: converged after 12 iterations.
iteration 67: trace = 6.642769244789783 (1.14974e-09% change)
linmin: converged after 5 iterations.
iteration 68: trace = 6.64276924474427 (6.85163e-10% change)
linmin: converged after 5 iterations.
iteration 69: trace = 6.642769244696984 (7.11838e-10% change)
resetting CG direction...
linmin: converged after 11 iterations.
iteration 70: trace = 6.642769244672526 (3.68186e-10% change)
linmin: converged after 17 iterations.
iteration 71: trace = 6.642769244656923 (2.34895e-10% change)
linmin: converged after 12 iterations.
iteration 72: trace = 6.642769244637179 (2.97215e-10% change)
linmin: converged after 7 iterations.
iteration 73: trace = 6.642769244619195 (2.70741e-10% change)
linmin: converged after 6 iterations.
iteration 74: trace = 6.642769244609402 (1.47411e-10% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.642769244598618 (1.62346e-10% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.642769244581568 (2.56675e-10% change)
linmin: converged after 6 iterations.
iteration 77: trace = 6.642769244576151 (8.15473e-11% change)
Finished solving for bands 1 to 8 after 77 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829
elapsed time for k point: 0.47858119010925293
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.68742931650452 (0.117811% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.68264724993627 (0.0715339% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.679627785477054 (0.0451939% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.674424620075824 (0.0779264% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.670593745708849 (0.0574128% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.669532231866325 (0.0159146% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.668698851707744 (0.0124961% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.667450144262116 (0.0187267% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.666854082081396 (0.00894028% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.666560972014663 (0.00439662% change)
large trace change predicted (0.0103219%)
linmin: converged after 4 iterations.
iteration 11: trace = 6.665873835374994 (0.0103077% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.665343845652399 (0.00795111% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.6649606862781 (0.0057487% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.664471825373208 (0.00733506% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.664343389402832 (0.00192719% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.664235362018363 (0.00162099% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.664099940391363 (0.00203209% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.663928196790676 (0.00257718% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.663861617064658 (0.000999111% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.663812745431779 (0.000733386% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.663735496481276 (0.00115924% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.663674584800469 (0.000914081% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.663634505870812 (0.000601456% change)
linmin: converged after 9 iterations.
iteration 24: trace = 6.663593036444581 (0.000622326% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.663573590797871 (0.00029182% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.663564019963311 (0.000143629% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.663549047822354 (0.000224687% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.663543235432437 (8.72267e-05% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.663539630863594 (5.40939e-05% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.663536020892542 (5.4175e-05% change)
large trace change predicted (0.000126921%)
linmin: converged after 3 iterations.
iteration 31: trace = 6.663527561138237 (0.000126956% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.663522804103543 (7.13892e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.663519840010221 (4.44824e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.663516773109635 (4.60252e-05% change)
linmin: converged after 10 iterations.
iteration 35: trace = 6.663513854797477 (4.37954e-05% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.66351282127115 (1.55102e-05% change)
large trace change predicted (3.45247e-05%)
linmin: converged after 4 iterations.
iteration 37: trace = 6.663510520492019 (3.4528e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.663509473855813 (1.5707e-05% change)
linmin: converged after 2 iterations.
iteration 39: trace = 6.66350905948412 (6.21852e-06% change)
large trace change predicted (1.52973e-05%)
linmin: converged after 4 iterations.
iteration 40: trace = 6.663508040074779 (1.52984e-05% change)
linmin: converged after 13 iterations.
iteration 41: trace = 6.66350736878073 (1.00742e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.663506898774938 (7.05343e-06% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.663506558850175 (5.10129e-06% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.663506414509431 (2.16614e-06% change)
linmin: converged after 28 iterations.
iteration 45: trace = 6.663506331481697 (1.24601e-06% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.663506215056473 (1.74721e-06% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.663506039962352 (2.62766e-06% change)
linmin: converged after 18 iterations.
iteration 48: trace = 6.663505983919635 (8.41039e-07% change)
linmin: converged after 11 iterations.
iteration 49: trace = 6.663505907580257 (1.14563e-06% change)
linmin: converged after 13 iterations.
iteration 50: trace = 6.663505851053846 (8.48298e-07% change)
linmin: converged after 6 iterations.
iteration 51: trace = 6.663505805273885 (6.87025e-07% change)
linmin: converged after 5 iterations.
iteration 52: trace = 6.663505790517945 (2.21444e-07% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.663505766537905 (3.59871e-07% change)
linmin: converged after 5 iterations.
iteration 54: trace = 6.663505741527417 (3.75335e-07% change)
linmin: converged after 23 iterations.
iteration 55: trace = 6.663505723766454 (2.66541e-07% change)
linmin: converged after 30 iterations.
iteration 56: trace = 6.663505707395612 (2.45679e-07% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.663505697307992 (1.51386e-07% change)
linmin: converged after 9 iterations.
iteration 58: trace = 6.663505694719878 (3.88401e-08% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.663505691931844 (4.18403e-08% change)
linmin: converged after 5 iterations.
iteration 60: trace = 6.663505688935059 (4.49731e-08% change)
linmin: converged after 6 iterations.
iteration 61: trace = 6.663505686196303 (4.11008e-08% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.663505684949426 (1.8712e-08% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.663505683329686 (2.43076e-08% change)
linmin: converged after 12 iterations.
iteration 64: trace = 6.663505682013065 (1.97587e-08% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.663505681318125 (1.0429e-08% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.66350568000373 (1.97253e-08% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.66350567919139 (1.21909e-08% change)
linmin: converged after 6 iterations.
iteration 68: trace = 6.663505678759838 (6.47635e-09% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.663505678470865 (4.33666e-09% change)
resetting CG direction...
linmin: converged after 8 iterations.
iteration 70: trace = 6.663505678324041 (2.2034e-09% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.663505678226369 (1.46578e-09% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.663505678094277 (1.98233e-09% change)
linmin: converged after 10 iterations.
iteration 73: trace = 6.663505677965077 (1.93892e-09% change)
linmin: converged after 18 iterations.
iteration 74: trace = 6.66350567790878 (8.44845e-10% change)
linmin: converged after 5 iterations.
iteration 75: trace = 6.663505677805992 (1.54256e-09% change)
linmin: converged after 17 iterations.
iteration 76: trace = 6.663505677741501 (9.67818e-10% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.663505677712489 (4.35392e-10% change)
linmin: converged after 6 iterations.
iteration 78: trace = 6.663505677678069 (5.16539e-10% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.663505677642904 (5.27722e-10% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.663505677622344 (3.08553e-10% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.66350567759534 (4.05255e-10% change)
linmin: converged after 7 iterations.
iteration 82: trace = 6.663505677568731 (3.99323e-10% change)
linmin: converged after 8 iterations.
iteration 83: trace = 6.663505677547433 (3.19616e-10% change)
linmin: converged after 6 iterations.
iteration 84: trace = 6.66350567753745 (1.49818e-10% change)
linmin: converged after 17 iterations.
iteration 85: trace = 6.663505677527924 (1.42953e-10% change)
linmin: converged after 3 iterations.
iteration 86: trace = 6.663505677520225 (1.15549e-10% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.663505677515312 (7.37227e-11% change)
Finished solving for bands 1 to 8 after 87 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114
elapsed time for k point: 0.5396192073822021
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.744447576192536 (0.144039% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.737974342923063 (0.0960248% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.732141779138002 (0.0866001% change)
linmin: converged after 10 iterations.
iteration 4: trace = 6.724828824799297 (0.108686% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.721434301434448 (0.0504902% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.718962207953828 (0.036786% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.717543137081957 (0.0211226% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.716463667344186 (0.0160707% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.715767538644822 (0.010365% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.714605745657165 (0.017301% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.713521880138656 (0.0161432% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.712581824447608 (0.0140034% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.711589810654388 (0.0147795% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.710907667568817 (0.0101642% change)
linmin: converged after 10 iterations.
iteration 15: trace = 6.710743951444661 (0.00243958% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.710422647844937 (0.00478801% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.710149737642435 (0.00406704% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.709926502205309 (0.00332689% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.709615223170183 (0.00463919% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.709383091625185 (0.00345974% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.709272391414308 (0.00164994% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.709164433466661 (0.0016091% change)
linmin: converged after 5 iterations.
iteration 23: trace = 6.70908228328382 (0.00122445% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.709040655657285 (0.000620469% change)
linmin: converged after 5 iterations.
iteration 25: trace = 6.709012986378738 (0.000412419% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.708973601698106 (0.000587043% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.708949152657861 (0.000364424% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.70893965639722 (0.000141546% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.708921851719259 (0.000265388% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.708911469458197 (0.000154753% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.70890382172838 (0.000113994% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.708893718526304 (0.000150594% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.708883945393598 (0.000145674% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.708879440618364 (6.71464e-05% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.70887148922375 (0.000118521% change)
linmin: converged after 4 iterations.
iteration 36: trace = 6.708866031276438 (8.13542e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.708863197039666 (4.22461e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.708860829014249 (3.5297e-05% change)
linmin: converged after 8 iterations.
iteration 39: trace = 6.708858447965409 (3.54911e-05% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.70885699851949 (2.1605e-05% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.708854902078135 (3.12489e-05% change)
linmin: converged after 5 iterations.
iteration 42: trace = 6.708852610157979 (3.41626e-05% change)
linmin: converged after 7 iterations.
iteration 43: trace = 6.708851929415184 (1.01469e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.708851237626785 (1.03116e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.70885027561984 (1.43394e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.708849646388729 (9.37912e-06% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.708848882347832 (1.13886e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.708848312891008 (8.48815e-06% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.708847879057657 (6.46658e-06% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.708847658500213 (3.28756e-06% change)
large trace change predicted (7.00998e-06%)
linmin: converged after 3 iterations.
iteration 51: trace = 6.708847188193878 (7.01024e-06% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.708846832260756 (5.30543e-06% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.708846619290997 (3.17446e-06% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.708846387823803 (3.45018e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 6.708846177703117 (3.13199e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 6.708846099890919 (1.15984e-06% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.708845988799521 (1.65589e-06% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.708845926155869 (9.33747e-07% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.708845871850761 (8.09455e-07% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.708845822809999 (7.30987e-07% change)
linmin: converged after 13 iterations.
iteration 61: trace = 6.708845760356785 (9.30908e-07% change)
linmin: converged after 2 iterations.
iteration 62: trace = 6.708845743003738 (2.58659e-07% change)
linmin: converged after 6 iterations.
iteration 63: trace = 6.708845724909576 (2.69706e-07% change)
linmin: converged after 7 iterations.
iteration 64: trace = 6.708845702105168 (3.39916e-07% change)
linmin: converged after 7 iterations.
iteration 65: trace = 6.708845680327379 (3.24613e-07% change)
linmin: converged after 3 iterations.
iteration 66: trace = 6.708845664241937 (2.39765e-07% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.708845650777155 (2.00702e-07% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.70884564540356 (8.00972e-08% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.708845642040083 (5.0135e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.708845640023133 (3.0064e-08% change)
linmin: converged after 6 iterations.
iteration 71: trace = 6.708845637674435 (3.5009e-08% change)
linmin: converged after 7 iterations.
iteration 72: trace = 6.708845634535178 (4.67928e-08% change)
linmin: converged after 4 iterations.
iteration 73: trace = 6.708845632986879 (2.30785e-08% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.708845630875833 (3.14666e-08% change)
linmin: converged after 5 iterations.
iteration 75: trace = 6.708845629670519 (1.7966e-08% change)
linmin: converged after 6 iterations.
iteration 76: trace = 6.708845628753616 (1.36671e-08% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.70884562822794 (7.83556e-09% change)
large trace change predicted (2.48466e-08%)
linmin: converged after 23 iterations.
iteration 78: trace = 6.708845626561008 (2.48468e-08% change)
linmin: converged after 9 iterations.
iteration 79: trace = 6.708845625403148 (1.72587e-08% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.70884562479595 (9.05071e-09% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.708845624335575 (6.86222e-09% change)
linmin: converged after 5 iterations.
iteration 82: trace = 6.708845623794146 (8.07036e-09% change)
linmin: converged after 6 iterations.
iteration 83: trace = 6.708845623391334 (6.00419e-09% change)
linmin: converged after 18 iterations.
iteration 84: trace = 6.708845623153671 (3.54254e-09% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.708845622824374 (4.90841e-09% change)
linmin: converged after 7 iterations.
iteration 86: trace = 6.708845622521746 (4.51087e-09% change)
linmin: converged after 5 iterations.
iteration 87: trace = 6.708845622386532 (2.01547e-09% change)
linmin: converged after 3 iterations.
iteration 88: trace = 6.708845622195872 (2.84192e-09% change)
linmin: converged after 13 iterations.
iteration 89: trace = 6.70884562208354 (1.67439e-09% change)
linmin: converged after 18 iterations.
iteration 90: trace = 6.708845622026524 (8.49859e-10% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.70884562197662 (7.43855e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 6.708845621907461 (1.03086e-09% change)
linmin: converged after 4 iterations.
iteration 93: trace = 6.708845621861144 (6.90383e-10% change)
linmin: converged after 2 iterations.
iteration 94: trace = 6.708845621839582 (3.21401e-10% change)
linmin: converged after 7 iterations.
iteration 95: trace = 6.708845621811404 (4.20005e-10% change)
linmin: converged after 20 iterations.
iteration 96: trace = 6.708845621769485 (6.24837e-10% change)
linmin: converged after 2 iterations.
iteration 97: trace = 6.708845621745693 (3.54631e-10% change)
linmin: converged after 9 iterations.
iteration 98: trace = 6.708845621735803 (1.47429e-10% change)
linmin: converged after 3 iterations.
iteration 99: trace = 6.708845621726293 (1.41749e-10% change)
linmin: converged after 6 iterations.
iteration 100: trace = 6.708845621714833 (1.70822e-10% change)
linmin: converged after 16 iterations.
iteration 101: trace = 6.708845621703096 (1.74939e-10% change)
linmin: converged after 2 iterations.
iteration 102: trace = 6.708845621696623 (9.64852e-11% change)
Finished solving for bands 1 to 8 after 102 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305
elapsed time for k point: 0.6332643032073975
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.789698402540012 (0.215823% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.777922809184626 (0.173584% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.769206232693758 (0.128685% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.76325344397442 (0.0879779% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.760899822538645 (0.0348062% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.758681340451685 (0.0328188% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.757086578769755 (0.0235985% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.75583213723433 (0.0185666% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.754118420493429 (0.0253697% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.751749024984656 (0.0350869% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.749302777868128 (0.0362379% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.748516468829814 (0.0116509% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.747249192728425 (0.0187804% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.746632657937885 (0.00913799% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.745834648382977 (0.011829% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.745082859682247 (0.0111451% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.743977423369205 (0.0163901% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.743390498642494 (0.00870332% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.743072725681261 (0.00471247% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.74271595156103 (0.00529111% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.742464067615607 (0.00373571% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.742330442516543 (0.00198186% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.742122757347128 (0.00308036% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.742003824595118 (0.00176404% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.741881004987275 (0.00182172% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.741788398443999 (0.00137361% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.741624598216273 (0.00242966% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.741503235165387 (0.00180022% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.741388464304385 (0.00170247% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.741262264289297 (0.00187204% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.741141889768689 (0.00178565% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.741091944003339 (0.000740912% change)
large trace change predicted (0.00157116%)
linmin: converged after 3 iterations.
iteration 33: trace = 6.740986066559797 (0.00157064% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.740890541670522 (0.00141709% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.7408213747181 (0.00102609% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.740737624556463 (0.00124244% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.740661829510442 (0.00112444% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.740629883340712 (0.000473933% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.740602082550813 (0.000412437% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.740570553168162 (0.000467754% change)
linmin: converged after 7 iterations.
iteration 41: trace = 6.74053612837471 (0.000510712% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.740511929686533 (0.000359003% change)
linmin: converged after 5 iterations.
iteration 43: trace = 6.740477773353071 (0.000506733% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.740464321378628 (0.00019957% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.740454926780418 (0.000139376% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.74044291111251 (0.000178262% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.74043321663761 (0.000143826% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.740427223431901 (8.89143e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.740422385872732 (7.17694e-05% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.740416728690716 (8.39292e-05% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.740414143557759 (3.83527e-05% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.740411995084093 (3.18745e-05% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.740409269342337 (4.04388e-05% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.740406804496367 (3.65682e-05% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.740405527571734 (1.89443e-05% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.740404266827904 (1.87043e-05% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.740403728311245 (7.98938e-06% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.740403437939013 (4.30794e-06% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.740402943742991 (7.33185e-06% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.740402141544934 (1.19013e-05% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.740401774224003 (5.44954e-06% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.740401383616216 (5.79502e-06% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.740401213266169 (2.5273e-06% change)
linmin: converged after 3 iterations.
iteration 64: trace = 6.740401083251827 (1.92888e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.740400960788135 (1.81686e-06% change)
linmin: converged after 5 iterations.
iteration 66: trace = 6.740400775678938 (2.74626e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.740400708064454 (1.00312e-06% change)
linmin: converged after 2 iterations.
iteration 68: trace = 6.7404006600371 (7.1253e-07% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.740400622536338 (5.56358e-07% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 70: trace = 6.740400603098549 (2.88377e-07% change)
linmin: converged after 5 iterations.
iteration 71: trace = 6.740400587214242 (2.35658e-07% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.740400563938179 (3.45322e-07% change)
linmin: converged after 7 iterations.
iteration 73: trace = 6.740400533808574 (4.47e-07% change)
linmin: converged after 15 iterations.
iteration 74: trace = 6.740400521523085 (1.82266e-07% change)
linmin: converged after 15 iterations.
iteration 75: trace = 6.740400502324264 (2.84832e-07% change)
linmin: converged after 7 iterations.
iteration 76: trace = 6.740400485755293 (2.45816e-07% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.740400468326008 (2.58579e-07% change)
linmin: converged after 2 iterations.
iteration 78: trace = 6.740400451024832 (2.56679e-07% change)
linmin: converged after 25 iterations.
iteration 79: trace = 6.740400430657317 (3.02171e-07% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.74040041960462 (1.63977e-07% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.740400411507297 (1.20131e-07% change)
linmin: converged after 4 iterations.
iteration 82: trace = 6.740400400768515 (1.5932e-07% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.740400386871048 (2.06182e-07% change)
linmin: converged after 3 iterations.
iteration 84: trace = 6.740400376262158 (1.57393e-07% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.740400359182829 (2.53387e-07% change)
linmin: converged after 10 iterations.
iteration 86: trace = 6.740400345748313 (1.99313e-07% change)
linmin: converged after 10 iterations.
iteration 87: trace = 6.740400338468786 (1.07998e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 6.740400333643256 (7.15911e-08% change)
linmin: converged after 8 iterations.
iteration 89: trace = 6.740400326301053 (1.08928e-07% change)
linmin: converged after 2 iterations.
iteration 90: trace = 6.74040031633631 (1.47836e-07% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.740400308681972 (1.13559e-07% change)
linmin: converged after 10 iterations.
iteration 92: trace = 6.74040030005929 (1.27925e-07% change)
linmin: converged after 5 iterations.
iteration 93: trace = 6.740400294142137 (8.77864e-08% change)
linmin: converged after 8 iterations.
iteration 94: trace = 6.740400290939562 (4.75131e-08% change)
linmin: converged after 6 iterations.
iteration 95: trace = 6.740400289529115 (2.09253e-08% change)
large trace change predicted (5.32799e-08%)
linmin: converged after 3 iterations.
iteration 96: trace = 6.740400285937808 (5.32803e-08% change)
linmin: converged after 7 iterations.
iteration 97: trace = 6.740400283463555 (3.67078e-08% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.740400281359919 (3.12094e-08% change)
linmin: converged after 18 iterations.
iteration 99: trace = 6.740400280453484 (1.34478e-08% change)
linmin: converged after 7 iterations.
iteration 100: trace = 6.740400279643643 (1.20147e-08% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.740400278718579 (1.37242e-08% change)
linmin: converged after 4 iterations.
iteration 102: trace = 6.740400277875298 (1.25108e-08% change)
linmin: converged after 9 iterations.
iteration 103: trace = 6.740400277061934 (1.2067e-08% change)
linmin: converged after 6 iterations.
iteration 104: trace = 6.740400276406529 (9.72354e-09% change)
linmin: converged after 7 iterations.
iteration 105: trace = 6.74040027574557 (9.80594e-09% change)
linmin: converged after 4 iterations.
iteration 106: trace = 6.74040027537741 (5.46199e-09% change)
linmin: converged after 18 iterations.
iteration 107: trace = 6.740400275190824 (2.76817e-09% change)
linmin: converged after 17 iterations.
iteration 108: trace = 6.740400275002443 (2.7948e-09% change)
linmin: converged after 5 iterations.
iteration 109: trace = 6.740400274841483 (2.38799e-09% change)
linmin: converged after 4 iterations.
iteration 110: trace = 6.740400274671768 (2.51788e-09% change)
linmin: converged after 2 iterations.
iteration 111: trace = 6.740400274625507 (6.86321e-10% change)
linmin: converged after 4 iterations.
iteration 112: trace = 6.740400274539467 (1.27649e-09% change)
linmin: converged after 4 iterations.
iteration 113: trace = 6.740400274488167 (7.61087e-10% change)
linmin: converged after 21 iterations.
iteration 114: trace = 6.740400274429472 (8.70785e-10% change)
linmin: converged after 4 iterations.
iteration 115: trace = 6.740400274391492 (5.63472e-10% change)
linmin: converged after 5 iterations.
iteration 116: trace = 6.740400274344982 (6.9001e-10% change)
linmin: converged after 4 iterations.
iteration 117: trace = 6.740400274310222 (5.15706e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 6.74040027429874 (1.70338e-10% change)
large trace change predicted (3.6214e-10%)
linmin: converged after 10 iterations.
iteration 119: trace = 6.740400274274326 (3.62208e-10% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.740400274257132 (2.55092e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 6.740400274245594 (1.71168e-10% change)
linmin: converged after 9 iterations.
iteration 122: trace = 6.740400274235709 (1.46659e-10% change)
linmin: converged after 7 iterations.
iteration 123: trace = 6.740400274229645 (8.9959e-11% change)
Finished solving for bands 1 to 8 after 123 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327
elapsed time for k point: 0.7691125869750977
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.787868941618761 (0.213565% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.776022098480381 (0.174682% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.76992906661587 (0.0899609% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.767085857494177 (0.0420064% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.765298901818625 (0.0264101% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.763340700372273 (0.028949% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.760043700357894 (0.04876% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.757627087966904 (0.0357549% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.754119981759141 (0.051912% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.751635252414195 (0.0367951% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.749275853760886 (0.0349517% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.748513930768448 (0.0112896% change)
large trace change predicted (0.0342017%)
linmin: converged after 3 iterations.
iteration 13: trace = 6.74618277875398 (0.0345492% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.744300917410761 (0.0278991% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.742003501068925 (0.0340704% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.740281226318531 (0.0255487% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.739215712577741 (0.0158094% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.738862119498992 (0.00524694% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.738332341719693 (0.00786184% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.73762597786491 (0.0104833% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.737211476994393 (0.00615222% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.736596718922851 (0.00912523% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.736116020675262 (0.00713588% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.735569722372651 (0.00811032% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.735310736074355 (0.00384513% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.734879752491319 (0.00639907% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.734393252444057 (0.00722385% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.733901766968647 (0.00729841% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.733209908076175 (0.0102748% change)
linmin: converged after 6 iterations.
iteration 30: trace = 6.732349668676493 (0.0127769% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.731921925214846 (0.00635376% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.73146116644943 (0.00684462% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.731024321106626 (0.00648982% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.730758298578559 (0.00395226% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.730487930056411 (0.00401699% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.730155608346905 (0.00493768% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.729721105743319 (0.00645626% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.729527833788968 (0.00287196% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.729325309272428 (0.00300954% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.729238825161824 (0.00128519% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.729183790569028 (0.000817846% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.729120122972619 (0.000946146% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.729017043899399 (0.00153185% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.728962331353364 (0.000813087% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.728906726607305 (0.000826353% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.7288674966053 (0.000583009% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.728848431854964 (0.000283328% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.728839597388681 (0.000131292% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.728828037458575 (0.000171797% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.728815695933926 (0.000183413% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.728808306215958 (0.000109822% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.728797313712378 (0.000163365% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.728790324696873 (0.000103867% change)
linmin: converged after 5 iterations.
iteration 54: trace = 6.728785445280219 (7.25155e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.728781936304378 (5.21487e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.728777421827271 (6.70921e-05% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.728774456663765 (4.40669e-05% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.728770671165874 (5.62584e-05% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.728766385179979 (6.36964e-05% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.728759704126928 (9.9291e-05% change)
linmin: converged after 5 iterations.
iteration 61: trace = 6.728756010862691 (5.48878e-05% change)
linmin: converged after 5 iterations.
iteration 62: trace = 6.728751331413709 (6.95441e-05% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.728747964603276 (5.00362e-05% change)
linmin: converged after 3 iterations.
iteration 64: trace = 6.728746081765632 (2.7982e-05% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.728743718559665 (3.51211e-05% change)
linmin: converged after 7 iterations.
iteration 66: trace = 6.728741219483796 (3.71403e-05% change)
linmin: converged after 6 iterations.
iteration 67: trace = 6.728737884044169 (4.95701e-05% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.728735364386599 (3.74462e-05% change)
linmin: converged after 7 iterations.
iteration 69: trace = 6.728731339106885 (5.98223e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.728730345702195 (1.47636e-05% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.728729609107984 (1.0947e-05% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.728728724223193 (1.31508e-05% change)
linmin: converged after 4 iterations.
iteration 73: trace = 6.728727748843896 (1.44957e-05% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.728727117814104 (9.37814e-06% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.728726358653099 (1.12824e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 6.72872554741707 (1.20563e-05% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.72872509030366 (6.79346e-06% change)
linmin: converged after 3 iterations.
iteration 78: trace = 6.728724367522501 (1.07417e-05% change)
linmin: converged after 3 iterations.
iteration 79: trace = 6.72872358826846 (1.1581e-05% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.728722668986204 (1.36621e-05% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.728722087340357 (8.64422e-06% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.728721147171524 (1.39725e-05% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.728720480061222 (9.91437e-06% change)
linmin: converged after 5 iterations.
iteration 84: trace = 6.728720022561202 (6.79921e-06% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.728719590887069 (6.4154e-06% change)
linmin: converged after 3 iterations.
iteration 86: trace = 6.728719153441071 (6.50118e-06% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.728718340009831 (1.20889e-05% change)
linmin: converged after 4 iterations.
iteration 88: trace = 6.72871740899841 (1.38364e-05% change)
linmin: converged after 4 iterations.
iteration 89: trace = 6.728717035071343 (5.55718e-06% change)
linmin: converged after 5 iterations.
iteration 90: trace = 6.728716494418849 (8.035e-06% change)
linmin: converged after 3 iterations.
iteration 91: trace = 6.728716174161589 (4.75956e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 6.72871587428043 (4.45674e-06% change)
linmin: converged after 11 iterations.
iteration 93: trace = 6.72871560798205 (3.95764e-06% change)
large trace change predicted (1.12239e-05%)
linmin: converged after 5 iterations.
iteration 94: trace = 6.728714852607432 (1.12261e-05% change)
linmin: converged after 4 iterations.
iteration 95: trace = 6.728714143438846 (1.05394e-05% change)
linmin: converged after 3 iterations.
iteration 96: trace = 6.728713790549917 (5.24452e-06% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.728713564804392 (3.35496e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 6.728713374895941 (2.82236e-06% change)
linmin: converged after 2 iterations.
iteration 99: trace = 6.728713158701467 (3.21301e-06% change)
linmin: converged after 5 iterations.
iteration 100: trace = 6.728713034439581 (1.84674e-06% change)
large trace change predicted (4.58133e-06%)
linmin: converged after 10 iterations.
iteration 101: trace = 6.72871272617565 (4.58132e-06% change)
linmin: converged after 5 iterations.
iteration 102: trace = 6.728712545133647 (2.69059e-06% change)
linmin: converged after 3 iterations.
iteration 103: trace = 6.72871245663579 (1.31523e-06% change)
linmin: converged after 5 iterations.
iteration 104: trace = 6.728712395632627 (9.0661e-07% change)
linmin: converged after 18 iterations.
iteration 105: trace = 6.728712336928318 (8.72445e-07% change)
linmin: converged after 2 iterations.
iteration 106: trace = 6.728712234813192 (1.5176e-06% change)
linmin: converged after 18 iterations.
iteration 107: trace = 6.728712175414977 (8.82758e-07% change)
linmin: converged after 5 iterations.
iteration 108: trace = 6.728712079897969 (1.41954e-06% change)
linmin: converged after 4 iterations.
iteration 109: trace = 6.728712039127421 (6.05919e-07% change)
linmin: converged after 4 iterations.
iteration 110: trace = 6.728712017364623 (3.23432e-07% change)
linmin: converged after 3 iterations.
iteration 111: trace = 6.728711999663398 (2.6307e-07% change)
linmin: converged after 4 iterations.
iteration 112: trace = 6.728711988199205 (1.70377e-07% change)
large trace change predicted (5.35313e-07%)
linmin: converged after 4 iterations.
iteration 113: trace = 6.728711952180902 (5.35293e-07% change)
linmin: converged after 3 iterations.
iteration 114: trace = 6.728711934350375 (2.64992e-07% change)
linmin: converged after 9 iterations.
iteration 115: trace = 6.728711913892715 (3.04035e-07% change)
linmin: converged after 4 iterations.
iteration 116: trace = 6.728711900894777 (1.93171e-07% change)
linmin: converged after 8 iterations.
iteration 117: trace = 6.728711892057472 (1.31337e-07% change)
linmin: converged after 6 iterations.
iteration 118: trace = 6.728711886381656 (8.43522e-08% change)
linmin: converged after 9 iterations.
iteration 119: trace = 6.728711875162885 (1.6673e-07% change)
linmin: converged after 7 iterations.
iteration 120: trace = 6.728711860792624 (2.13566e-07% change)
linmin: converged after 2 iterations.
iteration 121: trace = 6.728711852035588 (1.30144e-07% change)
linmin: converged after 4 iterations.
iteration 122: trace = 6.728711846069638 (8.86641e-08% change)
linmin: converged after 4 iterations.
iteration 123: trace = 6.72871184011905 (8.84358e-08% change)
linmin: converged after 4 iterations.
iteration 124: trace = 6.728711834492496 (8.36201e-08% change)
linmin: converged after 14 iterations.
iteration 125: trace = 6.728711831295445 (4.75136e-08% change)
large trace change predicted (1.17141e-07%)
linmin: converged after 5 iterations.
iteration 126: trace = 6.728711823413446 (1.1714e-07% change)
linmin: converged after 9 iterations.
iteration 127: trace = 6.728711817748645 (8.41885e-08% change)
linmin: converged after 18 iterations.
iteration 128: trace = 6.728711814569593 (4.72461e-08% change)
linmin: converged after 4 iterations.
iteration 129: trace = 6.728711812211834 (3.50403e-08% change)
large trace change predicted (8.45552e-08%)
linmin: converged after 4 iterations.
iteration 130: trace = 6.728711806522409 (8.45544e-08% change)
large trace change predicted (2.29726e-07%)
linmin: converged after 5 iterations.
iteration 131: trace = 6.728711791065719 (2.29712e-07% change)
linmin: converged after 4 iterations.
iteration 132: trace = 6.728711774760903 (2.42317e-07% change)
linmin: converged after 4 iterations.
iteration 133: trace = 6.728711761604093 (1.95532e-07% change)
linmin: converged after 4 iterations.
iteration 134: trace = 6.728711750597898 (1.63571e-07% change)
large trace change predicted (4.60699e-07%)
linmin: converged after 10 iterations.
iteration 135: trace = 6.728711719599451 (4.60689e-07% change)
linmin: converged after 2 iterations.
iteration 136: trace = 6.728711660575756 (8.77192e-07% change)
large trace change predicted (2.08552e-06%)
linmin: converged after 4 iterations.
iteration 137: trace = 6.728711520211803 (2.08605e-06% change)
near maximum in trace
linmin: converged after 12 iterations.
iteration 138: trace = 6.728465052028371 (0.003663% change)
linmin: converged after 5 iterations.
iteration 139: trace = 6.728464202183762 (1.26306e-05% change)
resetting CG direction...
large trace change predicted (0.0184248%)
linmin: converged after 4 iterations.
iteration 140: trace = 6.727225670170559 (0.018409% change)
linmin: converged after 4 iterations.
iteration 141: trace = 6.726387590530656 (0.0124588% change)
linmin: converged after 3 iterations.
iteration 142: trace = 6.725680184433979 (0.0105174% change)
linmin: converged after 4 iterations.
iteration 143: trace = 6.724746201346508 (0.0138878% change)
linmin: converged after 7 iterations.
iteration 144: trace = 6.724256167612527 (0.00728729% change)
large trace change predicted (0.0177432%)
linmin: converged after 3 iterations.
iteration 145: trace = 6.723058136479112 (0.0178181% change)
linmin: converged after 3 iterations.
iteration 146: trace = 6.721590996713515 (0.0218249% change)
linmin: converged after 3 iterations.
iteration 147: trace = 6.720496417550089 (0.0162859% change)
linmin: converged after 14 iterations.
iteration 148: trace = 6.720120980306572 (0.00558661% change)
linmin: converged after 3 iterations.
iteration 149: trace = 6.719629682860772 (0.00731111% change)
linmin: converged after 3 iterations.
iteration 150: trace = 6.719110763872809 (0.00772273% change)
linmin: converged after 4 iterations.
iteration 151: trace = 6.718622998640353 (0.00725964% change)
linmin: converged after 4 iterations.
iteration 152: trace = 6.717873329396619 (0.0111587% change)
linmin: converged after 4 iterations.
iteration 153: trace = 6.717203357534577 (0.00997347% change)
linmin: converged after 4 iterations.
iteration 154: trace = 6.716425495957477 (0.0115808% change)
linmin: converged after 3 iterations.
iteration 155: trace = 6.716037014926792 (0.00578421% change)
linmin: converged after 4 iterations.
iteration 156: trace = 6.715270861601974 (0.0114085% change)
linmin: converged after 3 iterations.
iteration 157: trace = 6.714234395327811 (0.0154357% change)
linmin: converged after 4 iterations.
iteration 158: trace = 6.713314192592557 (0.0137062% change)
linmin: converged after 3 iterations.
iteration 159: trace = 6.711854503131645 (0.0217456% change)
linmin: converged after 5 iterations.
iteration 160: trace = 6.709898602357587 (0.0291452% change)
linmin: converged after 4 iterations.
iteration 161: trace = 6.707657310593067 (0.0334083% change)
linmin: converged after 4 iterations.
iteration 162: trace = 6.70652710815731 (0.0168509% change)
linmin: converged after 4 iterations.
iteration 163: trace = 6.704294987753909 (0.0332883% change)
linmin: converged after 6 iterations.
iteration 164: trace = 6.702317773522212 (0.0294961% change)
linmin: converged after 5 iterations.
iteration 165: trace = 6.699271102363946 (0.0454673% change)
linmin: converged after 5 iterations.
iteration 166: trace = 6.695290056097197 (0.0594427% change)
linmin: converged after 7 iterations.
iteration 167: trace = 6.691518722870164 (0.056344% change)
linmin: converged after 5 iterations.
iteration 168: trace = 6.687850703536997 (0.054831% change)
linmin: converged after 4 iterations.
iteration 169: trace = 6.685975389033564 (0.0280445% change)
linmin: converged after 4 iterations.
iteration 170: trace = 6.684721883185482 (0.01875% change)
linmin: converged after 4 iterations.
iteration 171: trace = 6.683252265551213 (0.0219871% change)
linmin: converged after 3 iterations.
iteration 172: trace = 6.682221944554534 (0.0154176% change)
linmin: converged after 3 iterations.
iteration 173: trace = 6.681419790185795 (0.012005% change)
linmin: converged after 4 iterations.
iteration 174: trace = 6.68015895408827 (0.0188726% change)
linmin: converged after 4 iterations.
iteration 175: trace = 6.678688261946259 (0.0220182% change)
linmin: converged after 4 iterations.
iteration 176: trace = 6.677398674762745 (0.0193109% change)
linmin: converged after 4 iterations.
iteration 177: trace = 6.675743896738738 (0.0247848% change)
linmin: converged after 4 iterations.
iteration 178: trace = 6.673850196175163 (0.0283709% change)
linmin: converged after 4 iterations.
iteration 179: trace = 6.672013635763772 (0.0275225% change)
linmin: converged after 4 iterations.
iteration 180: trace = 6.670262185606556 (0.0262541% change)
linmin: converged after 4 iterations.
iteration 181: trace = 6.669026805118524 (0.0185224% change)
linmin: converged after 5 iterations.
iteration 182: trace = 6.668049543301572 (0.0146548% change)
linmin: converged after 4 iterations.
iteration 183: trace = 6.666906768726656 (0.0171395% change)
linmin: converged after 5 iterations.
iteration 184: trace = 6.665999390113961 (0.0136111% change)
linmin: converged after 3 iterations.
iteration 185: trace = 6.665499340640187 (0.00750177% change)
linmin: converged after 4 iterations.
iteration 186: trace = 6.665024495688508 (0.00712418% change)
linmin: converged after 3 iterations.
iteration 187: trace = 6.664418224479248 (0.00909672% change)
linmin: converged after 7 iterations.
iteration 188: trace = 6.663924294348037 (0.00741173% change)
linmin: converged after 3 iterations.
iteration 189: trace = 6.663518663923695 (0.00608715% change)
linmin: converged after 3 iterations.
iteration 190: trace = 6.663009199644129 (0.00764587% change)
linmin: converged after 5 iterations.
iteration 191: trace = 6.662347801470429 (0.00992691% change)
linmin: converged after 4 iterations.
iteration 192: trace = 6.661524813297024 (0.0123536% change)
linmin: converged after 4 iterations.
iteration 193: trace = 6.660609132042394 (0.0137468% change)
linmin: converged after 4 iterations.
iteration 194: trace = 6.659930512179589 (0.0101891% change)
linmin: converged after 6 iterations.
iteration 195: trace = 6.659423967212249 (0.00760615% change)
linmin: converged after 5 iterations.
iteration 196: trace = 6.658845882317971 (0.00868108% change)
linmin: converged after 3 iterations.
iteration 197: trace = 6.65833465823114 (0.00767766% change)
linmin: converged after 3 iterations.
iteration 198: trace = 6.658045818890158 (0.00433811% change)
linmin: converged after 3 iterations.
iteration 199: trace = 6.657814669536256 (0.00347179% change)
linmin: converged after 4 iterations.
iteration 200: trace = 6.657518703428868 (0.00444549% change)
linmin: converged after 3 iterations.
iteration 201: trace = 6.65721478112431 (0.0045652% change)
linmin: converged after 5 iterations.
iteration 202: trace = 6.656933532200783 (0.00422481% change)
linmin: converged after 3 iterations.
iteration 203: trace = 6.656587843600366 (0.00519305% change)
linmin: converged after 4 iterations.
iteration 204: trace = 6.656175076130328 (0.00620108% change)
linmin: converged after 3 iterations.
iteration 205: trace = 6.655736760430188 (0.00658532% change)
linmin: converged after 3 iterations.
iteration 206: trace = 6.655282372011525 (0.00682725% change)
linmin: converged after 3 iterations.
iteration 207: trace = 6.654934601432212 (0.00522562% change)
linmin: converged after 3 iterations.
iteration 208: trace = 6.654678151045698 (0.00385361% change)
linmin: converged after 3 iterations.
iteration 209: trace = 6.654370645668481 (0.004621% change)
resetting CG direction...
large trace change predicted (0.00953096%)
linmin: converged after 3 iterations.
iteration 210: trace = 6.653734021942329 (0.00956746% change)
linmin: converged after 4 iterations.
iteration 211: trace = 6.652971331034476 (0.0114633% change)
linmin: converged after 4 iterations.
iteration 212: trace = 6.652002827476375 (0.0145585% change)
linmin: converged after 3 iterations.
iteration 213: trace = 6.651286209350241 (0.0107735% change)
linmin: converged after 5 iterations.
iteration 214: trace = 6.650837271835792 (0.00674986% change)
large trace change predicted (0.0193391%)
linmin: converged after 3 iterations.
iteration 215: trace = 6.649539474461997 (0.0195152% change)
linmin: converged after 3 iterations.
iteration 216: trace = 6.648510083372565 (0.0154818% change)
linmin: converged after 3 iterations.
iteration 217: trace = 6.647980339916255 (0.00796817% change)
linmin: converged after 3 iterations.
iteration 218: trace = 6.647615451110134 (0.00548887% change)
linmin: converged after 3 iterations.
iteration 219: trace = 6.647091317934905 (0.00788484% change)
linmin: converged after 4 iterations.
iteration 220: trace = 6.646422541909829 (0.0100617% change)
linmin: converged after 4 iterations.
iteration 221: trace = 6.645551228482385 (0.0131104% change)
linmin: converged after 3 iterations.
iteration 222: trace = 6.644472138878054 (0.0162391% change)
linmin: converged after 3 iterations.
iteration 223: trace = 6.644009893870725 (0.00695708% change)
linmin: converged after 4 iterations.
iteration 224: trace = 6.643710157708425 (0.00451148% change)
linmin: converged after 4 iterations.
iteration 225: trace = 6.643375303506406 (0.0050403% change)
linmin: converged after 4 iterations.
iteration 226: trace = 6.64275621234844 (0.00931936% change)
linmin: converged after 3 iterations.
iteration 227: trace = 6.642363878543177 (0.00590636% change)
linmin: converged after 4 iterations.
iteration 228: trace = 6.641680994332497 (0.0102813% change)
linmin: converged after 4 iterations.
iteration 229: trace = 6.641114758871316 (0.00852585% change)
linmin: converged after 3 iterations.
iteration 230: trace = 6.64071368687978 (0.00603941% change)
linmin: converged after 7 iterations.
iteration 231: trace = 6.640434090562495 (0.00421042% change)
linmin: converged after 5 iterations.
iteration 232: trace = 6.640119211598217 (0.00474196% change)
linmin: converged after 6 iterations.
iteration 233: trace = 6.639902046612212 (0.00327055% change)
linmin: converged after 4 iterations.
iteration 234: trace = 6.63957501130691 (0.00492542% change)
linmin: converged after 7 iterations.
iteration 235: trace = 6.639325072147652 (0.00376446% change)
linmin: converged after 4 iterations.
iteration 236: trace = 6.639218484211825 (0.00160542% change)
linmin: converged after 5 iterations.
iteration 237: trace = 6.639148710078965 (0.00105094% change)
linmin: converged after 6 iterations.
iteration 238: trace = 6.639067895394519 (0.00121725% change)
linmin: converged after 4 iterations.
iteration 239: trace = 6.639016127198259 (0.000779754% change)
linmin: converged after 4 iterations.
iteration 240: trace = 6.638968472542567 (0.0007178% change)
linmin: converged after 4 iterations.
iteration 241: trace = 6.63889603719281 (0.00109107% change)
linmin: converged after 7 iterations.
iteration 242: trace = 6.638849856045798 (0.000695617% change)
linmin: converged after 3 iterations.
iteration 243: trace = 6.63881574346586 (0.000513834% change)
linmin: converged after 8 iterations.
iteration 244: trace = 6.638799478784 (0.000244994% change)
linmin: converged after 3 iterations.
iteration 245: trace = 6.638789010025883 (0.000157691% change)
linmin: converged after 3 iterations.
iteration 246: trace = 6.638782676455686 (9.54025e-05% change)
linmin: converged after 3 iterations.
iteration 247: trace = 6.638771442919003 (0.000169211% change)
linmin: converged after 5 iterations.
iteration 248: trace = 6.63876396797207 (0.000112595% change)
linmin: converged after 4 iterations.
iteration 249: trace = 6.638757041238585 (0.000104338% change)
linmin: converged after 4 iterations.
iteration 250: trace = 6.63875181895463 (7.86636e-05% change)
linmin: converged after 4 iterations.
iteration 251: trace = 6.638748272687267 (5.34177e-05% change)
linmin: converged after 4 iterations.
iteration 252: trace = 6.638746723847516 (2.33303e-05% change)
linmin: converged after 3 iterations.
iteration 253: trace = 6.638744550600101 (3.27358e-05% change)
linmin: converged after 3 iterations.
iteration 254: trace = 6.638743112142956 (2.16676e-05% change)
linmin: converged after 3 iterations.
iteration 255: trace = 6.638741274188764 (2.76853e-05% change)
linmin: converged after 16 iterations.
iteration 256: trace = 6.638739467298501 (2.72174e-05% change)
linmin: converged after 4 iterations.
iteration 257: trace = 6.638738349202688 (1.6842e-05% change)
linmin: converged after 6 iterations.
iteration 258: trace = 6.638737835689367 (7.7351e-06% change)
linmin: converged after 3 iterations.
iteration 259: trace = 6.638737218899633 (9.29077e-06% change)
linmin: converged after 3 iterations.
iteration 260: trace = 6.638736854734873 (5.48545e-06% change)
linmin: converged after 3 iterations.
iteration 261: trace = 6.63873627690166 (8.70396e-06% change)
linmin: converged after 16 iterations.
iteration 262: trace = 6.638735729089737 (8.25175e-06% change)
linmin: converged after 4 iterations.
iteration 263: trace = 6.6387352553989 (7.13526e-06% change)
linmin: converged after 5 iterations.
iteration 264: trace = 6.638735054672749 (3.02356e-06% change)
linmin: converged after 5 iterations.
iteration 265: trace = 6.638734869417193 (2.79052e-06% change)
linmin: converged after 6 iterations.
iteration 266: trace = 6.638734731754969 (2.07362e-06% change)
linmin: converged after 16 iterations.
iteration 267: trace = 6.638734628724432 (1.55196e-06% change)
linmin: converged after 16 iterations.
iteration 268: trace = 6.638734462768283 (2.49982e-06% change)
linmin: converged after 16 iterations.
iteration 269: trace = 6.638734304607528 (2.38239e-06% change)
linmin: converged after 7 iterations.
iteration 270: trace = 6.638734216530693 (1.32671e-06% change)
linmin: converged after 5 iterations.
iteration 271: trace = 6.638734134679857 (1.23293e-06% change)
linmin: converged after 5 iterations.
iteration 272: trace = 6.638734089154566 (6.85753e-07% change)
linmin: converged after 6 iterations.
iteration 273: trace = 6.638734054364789 (5.24042e-07% change)
linmin: converged after 4 iterations.
iteration 274: trace = 6.63873399397008 (9.09732e-07% change)
linmin: converged after 7 iterations.
iteration 275: trace = 6.638733923635748 (1.05945e-06% change)
linmin: converged after 4 iterations.
iteration 276: trace = 6.638733868929354 (8.24049e-07% change)
linmin: converged after 8 iterations.
iteration 277: trace = 6.638733816587413 (7.88433e-07% change)
linmin: converged after 7 iterations.
iteration 278: trace = 6.638733780054953 (5.50293e-07% change)
linmin: converged after 5 iterations.
iteration 279: trace = 6.638733762993164 (2.57004e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 6.638733753319537 (1.45715e-07% change)
linmin: converged after 8 iterations.
iteration 281: trace = 6.638733739343934 (2.10516e-07% change)
linmin: converged after 4 iterations.
iteration 282: trace = 6.638733714968705 (3.67167e-07% change)
linmin: converged after 5 iterations.
iteration 283: trace = 6.638733697635013 (2.61099e-07% change)
linmin: converged after 4 iterations.
iteration 284: trace = 6.638733679257065 (2.76829e-07% change)
linmin: converged after 3 iterations.
iteration 285: trace = 6.638733663313102 (2.40166e-07% change)
linmin: converged after 5 iterations.
iteration 286: trace = 6.638733649720824 (2.04742e-07% change)
linmin: converged after 4 iterations.
iteration 287: trace = 6.638733642397483 (1.10312e-07% change)
large trace change predicted (3.06615e-07%)
linmin: converged after 4 iterations.
iteration 288: trace = 6.638733622042839 (3.06604e-07% change)
linmin: converged after 11 iterations.
iteration 289: trace = 6.638733598840012 (3.49507e-07% change)
linmin: converged after 3 iterations.
iteration 290: trace = 6.638733576526505 (3.36111e-07% change)
linmin: converged after 5 iterations.
iteration 291: trace = 6.638733563837013 (1.91143e-07% change)
linmin: converged after 5 iterations.
iteration 292: trace = 6.638733549820286 (2.11136e-07% change)
linmin: converged after 4 iterations.
iteration 293: trace = 6.638733541093235 (1.31457e-07% change)
linmin: converged after 6 iterations.
iteration 294: trace = 6.638733535467152 (8.47463e-08% change)
linmin: converged after 3 iterations.
iteration 295: trace = 6.638733526098875 (1.41115e-07% change)
linmin: converged after 7 iterations.
iteration 296: trace = 6.638733515386362 (1.61364e-07% change)
linmin: converged after 5 iterations.
iteration 297: trace = 6.638733504209687 (1.68356e-07% change)
linmin: converged after 6 iterations.
iteration 298: trace = 6.638733499493042 (7.10474e-08% change)
linmin: converged after 6 iterations.
iteration 299: trace = 6.638733493647839 (8.8047e-08% change)
linmin: converged after 14 iterations.
iteration 300: trace = 6.638733488792827 (7.31316e-08% change)
linmin: converged after 22 iterations.
iteration 301: trace = 6.638733482768131 (9.07507e-08% change)
linmin: converged after 6 iterations.
iteration 302: trace = 6.638733478266698 (6.78056e-08% change)
linmin: converged after 4 iterations.
iteration 303: trace = 6.638733471761608 (9.79869e-08% change)
linmin: converged after 4 iterations.
iteration 304: trace = 6.638733467798773 (5.96926e-08% change)
linmin: converged after 4 iterations.
iteration 305: trace = 6.638733466611077 (1.78904e-08% change)
linmin: converged after 7 iterations.
iteration 306: trace = 6.638733465224359 (2.08883e-08% change)
linmin: converged after 4 iterations.
iteration 307: trace = 6.638733463533532 (2.54691e-08% change)
linmin: converged after 4 iterations.
iteration 308: trace = 6.638733461458933 (3.12499e-08% change)
linmin: converged after 4 iterations.
iteration 309: trace = 6.638733459683483 (2.67438e-08% change)
linmin: converged after 8 iterations.
iteration 310: trace = 6.638733459151364 (8.01536e-09% change)
linmin: converged after 2 iterations.
iteration 311: trace = 6.638733458305864 (1.27359e-08% change)
linmin: converged after 8 iterations.
iteration 312: trace = 6.638733457933458 (5.6096e-09% change)
linmin: converged after 17 iterations.
iteration 313: trace = 6.638733457618706 (4.74114e-09% change)
linmin: converged after 4 iterations.
iteration 314: trace = 6.638733457246565 (5.6056e-09% change)
linmin: converged after 4 iterations.
iteration 315: trace = 6.63873345662853 (9.30954e-09% change)
linmin: converged after 27 iterations.
iteration 316: trace = 6.638733456168647 (6.92727e-09% change)
linmin: converged after 6 iterations.
iteration 317: trace = 6.638733456016138 (2.29726e-09% change)
linmin: converged after 3 iterations.
iteration 318: trace = 6.63873345592733 (1.33773e-09% change)
linmin: converged after 3 iterations.
iteration 319: trace = 6.638733455861431 (9.92635e-10% change)
linmin: converged after 4 iterations.
iteration 320: trace = 6.638733455788412 (1.09991e-09% change)
linmin: converged after 4 iterations.
iteration 321: trace = 6.63873345572871 (8.99292e-10% change)
linmin: converged after 10 iterations.
iteration 322: trace = 6.638733455645148 (1.25871e-09% change)
linmin: converged after 4 iterations.
iteration 323: trace = 6.638733455573155 (1.08444e-09% change)
linmin: converged after 4 iterations.
iteration 324: trace = 6.638733455556595 (2.49433e-10% change)
linmin: converged after 4 iterations.
iteration 325: trace = 6.638733455540329 (2.45018e-10% change)
linmin: converged after 2 iterations.
iteration 326: trace = 6.638733455526417 (2.09564e-10% change)
linmin: converged after 6 iterations.
iteration 327: trace = 6.638733455512361 (2.11718e-10% change)
linmin: converged after 6 iterations.
iteration 328: trace = 6.638733455504184 (1.23178e-10% change)
linmin: converged after 4 iterations.
iteration 329: trace = 6.638733455491636 (1.89015e-10% change)
linmin: converged after 4 iterations.
iteration 330: trace = 6.638733455483589 (1.21211e-10% change)
linmin: converged after 3 iterations.
iteration 331: trace = 6.638733455480923 (4.0163e-11% change)
Finished solving for bands 1 to 8 after 331 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454
elapsed time for k point: 2.0750625133514404
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.6260576636651 (0.100231% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.622613155506363 (0.0519978% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.620673763192594 (0.0292887% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.61959770366671 (0.0162543% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.618315111654894 (0.0193776% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.617219287554234 (0.0165588% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.615295861087446 (0.0290712% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.61417947717352 (0.0168772% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.613750797582683 (0.00648143% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.613492236553606 (0.00390952% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.613099997166025 (0.00593107% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.612508104554861 (0.00895071% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.611911604270607 (0.00902119% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.611621979155153 (0.00438045% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.61152879743824 (0.00140937% change)
linmin: converged after 10 iterations.
iteration 16: trace = 6.611478379688956 (0.000762576% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.611426401150281 (0.000786189% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.611356799138305 (0.00105276% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.611309368452345 (0.000717415% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.611236277861248 (0.00110554% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.611184239585778 (0.000787122% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.611157390189376 (0.000406122% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.611149760151916 (0.000115412% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.611137418040058 (0.000186686% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.611117109453347 (0.000307188% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.611106886969172 (0.000154626% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.611093350464097 (0.000204754% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.611088832489158 (6.83393e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.611086831710893 (3.0264e-05% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.611085128689046 (2.57601e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.611082646624049 (3.7544e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.611078563754775 (6.1758e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.611077155520979 (2.13011e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.611075809232332 (2.03641e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.611075193893146 (9.3077e-06% change)
linmin: converged after 6 iterations.
iteration 36: trace = 6.611074698949416 (7.48658e-06% change)
linmin: converged after 2 iterations.
iteration 37: trace = 6.611074407602309 (4.40696e-06% change)
large trace change predicted (9.33395e-06%)
linmin: converged after 7 iterations.
iteration 38: trace = 6.611073790566093 (9.33337e-06% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.611073203340129 (8.88246e-06% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.611073052510149 (2.28147e-06% change)
linmin: converged after 23 iterations.
iteration 41: trace = 6.611072941966639 (1.6721e-06% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.611072860997261 (1.22475e-06% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.611072808574963 (7.92947e-07% change)
linmin: converged after 9 iterations.
iteration 44: trace = 6.611072776016216 (4.92488e-07% change)
linmin: converged after 11 iterations.
iteration 45: trace = 6.611072738164962 (5.72543e-07% change)
linmin: converged after 7 iterations.
iteration 46: trace = 6.611072698871501 (5.94358e-07% change)
linmin: converged after 11 iterations.
iteration 47: trace = 6.611072683715105 (2.29258e-07% change)
linmin: converged after 12 iterations.
iteration 48: trace = 6.611072672234465 (1.73658e-07% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.611072662758118 (1.43341e-07% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.611072656974429 (8.74849e-08% change)
linmin: converged after 6 iterations.
iteration 51: trace = 6.611072652150455 (7.29681e-08% change)
linmin: converged after 11 iterations.
iteration 52: trace = 6.6110726464698 (8.59264e-08% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.611072641173973 (8.01054e-08% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.611072640190232 (1.48802e-08% change)
linmin: converged after 13 iterations.
iteration 55: trace = 6.611072639602208 (8.89454e-09% change)
linmin: converged after 18 iterations.
iteration 56: trace = 6.611072639215561 (5.84848e-09% change)
linmin: converged after 19 iterations.
iteration 57: trace = 6.611072638759536 (6.89789e-09% change)
linmin: converged after 9 iterations.
iteration 58: trace = 6.611072638475058 (4.30306e-09% change)
linmin: converged after 24 iterations.
iteration 59: trace = 6.611072638036691 (6.6308e-09% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.611072637785712 (3.79634e-09% change)
linmin: converged after 23 iterations.
iteration 61: trace = 6.611072637654464 (1.98527e-09% change)
linmin: converged after 8 iterations.
iteration 62: trace = 6.611072637585958 (1.03623e-09% change)
linmin: converged after 10 iterations.
iteration 63: trace = 6.611072637534597 (7.76902e-10% change)
linmin: converged after 5 iterations.
iteration 64: trace = 6.611072637495156 (5.96582e-10% change)
linmin: converged after 5 iterations.
iteration 65: trace = 6.611072637473903 (3.21479e-10% change)
large trace change predicted (1.05746e-09%)
linmin: converged after 7 iterations.
iteration 66: trace = 6.611072637403989 (1.05753e-09% change)
linmin: converged after 5 iterations.
iteration 67: trace = 6.611072637378327 (3.88169e-10% change)
linmin: converged after 10 iterations.
iteration 68: trace = 6.611072637366791 (1.7449e-10% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.611072637361785 (7.57315e-11% change)
Finished solving for bands 1 to 8 after 69 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128
elapsed time for k point: 0.4353303909301758
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.696548452574453 (0.194448% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.68934246550691 (0.107665% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.684968588109188 (0.0654071% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.682654417949922 (0.0346235% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.680578974781489 (0.031062% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.677750730955622 (0.0423443% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.674361515953921 (0.0507667% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.672549249849368 (0.0271563% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.670357073705703 (0.0328591% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.669034273193324 (0.019833% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.667931878740369 (0.0165314% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.667446347570774 (0.00728185% change)
large trace change predicted (0.0240835%)
linmin: converged after 4 iterations.
iteration 13: trace = 6.665843395724869 (0.0240444% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.664868522369391 (0.014626% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.663981786838425 (0.0133055% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.663285117050775 (0.0104548% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.662813208995669 (0.00708246% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.662657367837145 (0.002339% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.662510138456993 (0.00220979% change)
large trace change predicted (0.00524066%)
linmin: converged after 3 iterations.
iteration 20: trace = 6.662160849172216 (0.00524275% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.6619742098717 (0.00280152% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.661701520712338 (0.0040933% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.661499720848783 (0.0030293% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.661401436788111 (0.00147542% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.661330968882906 (0.00105786% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.661273357507079 (0.000864867% change)
linmin: converged after 6 iterations.
iteration 27: trace = 6.661214838038512 (0.000878507% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.661157759357232 (0.000856885% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.661112661270185 (0.000677033% change)
linmin: converged after 13 iterations.
iteration 30: trace = 6.661070300428092 (0.000635944% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.661058307974867 (0.000180038% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.661042292604195 (0.000240433% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.661028283391409 (0.000210316% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.661012969908079 (0.000229897% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.661000272792445 (0.000190619% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.660981057700925 (0.000288472% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.660974846350101 (9.32498e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.660970536537528 (6.47025e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.660965329883129 (7.81666e-05% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.660960399141092 (7.40245e-05% change)
linmin: converged after 9 iterations.
iteration 41: trace = 6.660955690692173 (7.06873e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.660951410711075 (6.42548e-05% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.660948058569119 (5.03253e-05% change)
linmin: converged after 7 iterations.
iteration 44: trace = 6.660947085941372 (1.46019e-05% change)
large trace change predicted (2.98581e-05%)
linmin: converged after 3 iterations.
iteration 45: trace = 6.660945097034071 (2.98592e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.660943821783676 (1.91452e-05% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.660942440495745 (2.07371e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.660941469353187 (1.45797e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.660940204101015 (1.89951e-05% change)
linmin: converged after 6 iterations.
iteration 50: trace = 6.660939460724643 (1.11602e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.66093894801723 (7.69722e-06% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.660938435135448 (7.69984e-06% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.660938003142447 (6.48547e-06% change)
linmin: converged after 5 iterations.
iteration 54: trace = 6.66093769090408 (4.6876e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.66093725847799 (6.49197e-06% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.660937080980935 (2.66475e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 6.660937039755714 (6.1891e-07% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.660936992661449 (7.07022e-07% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.660936943514294 (7.37841e-07% change)
linmin: converged after 8 iterations.
iteration 60: trace = 6.660936890542162 (7.95265e-07% change)
linmin: converged after 2 iterations.
iteration 61: trace = 6.660936833462838 (8.56926e-07% change)
linmin: converged after 5 iterations.
iteration 62: trace = 6.660936777950853 (8.33396e-07% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.660936765941797 (1.80291e-07% change)
linmin: converged after 2 iterations.
iteration 64: trace = 6.660936755015155 (1.64041e-07% change)
linmin: converged after 6 iterations.
iteration 65: trace = 6.660936746504003 (1.27777e-07% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.660936740708101 (8.70133e-08% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.660936737168779 (5.31355e-08% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.660936730929 (9.36772e-08% change)
linmin: converged after 9 iterations.
iteration 69: trace = 6.660936726671792 (6.39131e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.660936725038566 (2.45195e-08% change)
linmin: converged after 2 iterations.
iteration 71: trace = 6.660936723757438 (1.92334e-08% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.660936722379987 (2.06795e-08% change)
linmin: converged after 33 iterations.
iteration 73: trace = 6.66093672137998 (1.5013e-08% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.660936720551226 (1.2442e-08% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.660936719202968 (2.02413e-08% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.660936718301423 (1.35348e-08% change)
linmin: converged after 18 iterations.
iteration 77: trace = 6.660936717516629 (1.1782e-08% change)
linmin: converged after 15 iterations.
iteration 78: trace = 6.660936716875789 (9.62086e-09% change)
linmin: converged after 25 iterations.
iteration 79: trace = 6.660936716382007 (7.4131e-09% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.660936716199179 (2.74479e-09% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.660936715851733 (5.21617e-09% change)
linmin: converged after 22 iterations.
iteration 82: trace = 6.660936715504791 (5.20861e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.660936715305027 (2.99903e-09% change)
linmin: converged after 27 iterations.
iteration 84: trace = 6.66093671508835 (3.25296e-09% change)
linmin: converged after 5 iterations.
iteration 85: trace = 6.660936714937364 (2.26674e-09% change)
linmin: converged after 9 iterations.
iteration 86: trace = 6.660936714833896 (1.55336e-09% change)
linmin: converged after 3 iterations.
iteration 87: trace = 6.660936714747509 (1.29692e-09% change)
linmin: converged after 6 iterations.
iteration 88: trace = 6.660936714695935 (7.74273e-10% change)
linmin: converged after 6 iterations.
iteration 89: trace = 6.660936714617487 (1.17772e-09% change)
linmin: converged after 18 iterations.
iteration 90: trace = 6.66093671457714 (6.0573e-10% change)
linmin: converged after 7 iterations.
iteration 91: trace = 6.660936714542649 (5.17818e-10% change)
linmin: converged after 19 iterations.
iteration 92: trace = 6.66093671452329 (2.90631e-10% change)
linmin: converged after 6 iterations.
iteration 93: trace = 6.660936714512652 (1.59703e-10% change)
linmin: converged after 23 iterations.
iteration 94: trace = 6.660936714494253 (2.7623e-10% change)
linmin: converged after 4 iterations.
iteration 95: trace = 6.660936714476417 (2.67763e-10% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.660936714462952 (2.02146e-10% change)
linmin: converged after 6 iterations.
iteration 97: trace = 6.660936714455913 (1.05686e-10% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.660936714447594 (1.24888e-10% change)
linmin: converged after 4 iterations.
iteration 99: trace = 6.660936714441473 (9.18989e-11% change)
Finished solving for bands 1 to 8 after 99 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532
elapsed time for k point: 0.623504638671875
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.828693365824004 (0.258209% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.81491531333085 (0.201971% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.803492943791591 (0.167749% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.798487715310334 (0.0735956% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.793362049054725 (0.0754226% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.785739546110888 (0.112268% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.782649098280649 (0.0455536% change)
large trace change predicted (0.100602%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.775937084960444 (0.0990076% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.767502319495193 (0.124559% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.763226777760307 (0.0631975% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.757059804096025 (0.0912255% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.751376539552863 (0.0841439% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.749201093205061 (0.0322275% change)
large trace change predicted (0.0987653%)
linmin: converged after 4 iterations.
iteration 14: trace = 6.742591395271164 (0.097981% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.740640520736622 (0.0289378% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.737712722144593 (0.0434445% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.73452098326382 (0.0473825% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.732582978654195 (0.0287813% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.729242279218445 (0.0496322% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.728109380356157 (0.0168369% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.726644100330462 (0.0217809% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.725872586664417 (0.0114702% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.725359747865309 (0.00762516% change)
linmin: converged after 21 iterations.
iteration 24: trace = 6.724756270469366 (0.00897356% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.724231366871892 (0.00780585% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.723530396492713 (0.0104251% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.723053589910712 (0.00709186% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.722658831569981 (0.00587188% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.722318025801377 (0.00506964% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.722110957479178 (0.00308036% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.721805734272037 (0.00454069% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.721654561005488 (0.00224902% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.721517311503868 (0.00204192% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.721358449047066 (0.00236352% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.721272068097353 (0.00128518% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.721179708634331 (0.00137415% change)
linmin: converged after 6 iterations.
iteration 37: trace = 6.721123311312419 (0.000839102% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.721064014980577 (0.000882242% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.720970932018229 (0.00138495% change)
linmin: converged after 6 iterations.
iteration 40: trace = 6.720931124316433 (0.000592293% change)
large trace change predicted (0.00161295%)
linmin: converged after 3 iterations.
iteration 41: trace = 6.720822629671658 (0.00161429% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.72079846265409 (0.000359585% change)
large trace change predicted (0.00072696%)
linmin: converged after 5 iterations.
iteration 43: trace = 6.720749736141956 (0.000725013% change)
linmin: converged after 6 iterations.
iteration 44: trace = 6.72072260233406 (0.000403733% change)
linmin: converged after 9 iterations.
iteration 45: trace = 6.72070519794796 (0.000258966% change)
large trace change predicted (0.000642169%)
linmin: converged after 6 iterations.
iteration 46: trace = 6.720662129158626 (0.000640839% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.720647159202968 (0.000222745% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.720620434442544 (0.000397652% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.720599312394453 (0.000314288% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.720588138740021 (0.00016626% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.720572437757358 (0.000233625% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.720560502977415 (0.000177586% change)
linmin: converged after 5 iterations.
iteration 53: trace = 6.720550779021665 (0.00014469% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.72054201605287 (0.000130391% change)
linmin: converged after 5 iterations.
iteration 55: trace = 6.720538072124155 (5.86847e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.720533815636847 (6.33355e-05% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.720531117060512 (4.01542e-05% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.720527587293265 (5.25222e-05% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.720523743289104 (5.7198e-05% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.720520452342011 (4.89686e-05% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.720515636146466 (7.16641e-05% change)
linmin: converged after 11 iterations.
iteration 62: trace = 6.720513695801111 (2.8872e-05% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.720511339817818 (3.50566e-05% change)
linmin: converged after 2 iterations.
iteration 64: trace = 6.720510233758202 (1.6458e-05% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.7205095257317 (1.05353e-05% change)
linmin: converged after 2 iterations.
iteration 66: trace = 6.720508403500634 (1.66986e-05% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.720507795705634 (9.04388e-06% change)
large trace change predicted (2.55121e-05%)
linmin: converged after 4 iterations.
iteration 68: trace = 6.720506081209342 (2.55114e-05% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.720505166233876 (1.36147e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.720504632564524 (7.94091e-06% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.720503757921638 (1.30145e-05% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.720503155132286 (8.96941e-06% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.720502825006813 (4.91221e-06% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.720502267138848 (8.30099e-06% change)
linmin: converged after 3 iterations.
iteration 75: trace = 6.72050161821459 (9.65589e-06% change)
linmin: converged after 3 iterations.
iteration 76: trace = 6.720501329636397 (4.294e-06% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.720500923073919 (6.04959e-06% change)
linmin: converged after 3 iterations.
iteration 78: trace = 6.7205004497822 (7.04251e-06% change)
linmin: converged after 3 iterations.
iteration 79: trace = 6.720500091190194 (5.33579e-06% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.720499710770521 (5.66059e-06% change)
linmin: converged after 7 iterations.
iteration 81: trace = 6.720499408715081 (4.49454e-06% change)
linmin: converged after 4 iterations.
iteration 82: trace = 6.720499351491902 (8.51472e-07% change)
linmin: converged after 7 iterations.
iteration 83: trace = 6.720499245520994 (1.57683e-06% change)
linmin: converged after 4 iterations.
iteration 84: trace = 6.720499132663288 (1.67931e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 6.720498947976651 (2.74811e-06% change)
linmin: converged after 8 iterations.
iteration 86: trace = 6.720498868915341 (1.17642e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 6.720498762222831 (1.58757e-06% change)
linmin: converged after 2 iterations.
iteration 88: trace = 6.720498674231538 (1.3093e-06% change)
linmin: converged after 5 iterations.
iteration 89: trace = 6.720498653875839 (3.0289e-07% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.720498625620474 (4.20436e-07% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.720498602840975 (3.38955e-07% change)
linmin: converged after 18 iterations.
iteration 92: trace = 6.720498591264342 (1.72259e-07% change)
large trace change predicted (4.49888e-07%)
linmin: converged after 4 iterations.
iteration 93: trace = 6.720498561030472 (4.49875e-07% change)
linmin: converged after 3 iterations.
iteration 94: trace = 6.720498532165731 (4.29503e-07% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.720498516270226 (2.36523e-07% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.720498508965846 (1.08688e-07% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.720498499076913 (1.47146e-07% change)
linmin: converged after 19 iterations.
iteration 98: trace = 6.720498492691434 (9.5015e-08% change)
linmin: converged after 7 iterations.
iteration 99: trace = 6.720498490784987 (2.83676e-08% change)
large trace change predicted (6.5941e-08%)
linmin: converged after 10 iterations.
iteration 100: trace = 6.720498486353334 (6.59423e-08% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.720498482665715 (5.48712e-08% change)
linmin: converged after 12 iterations.
iteration 102: trace = 6.720498480517313 (3.19679e-08% change)
linmin: converged after 4 iterations.
iteration 103: trace = 6.720498478115991 (3.57313e-08% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.720498474287696 (5.69645e-08% change)
linmin: converged after 29 iterations.
iteration 105: trace = 6.720498473541149 (1.11085e-08% change)
large trace change predicted (2.47838e-08%)
linmin: converged after 4 iterations.
iteration 106: trace = 6.720498471875564 (2.47837e-08% change)
linmin: converged after 4 iterations.
iteration 107: trace = 6.720498471055208 (1.22068e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 6.720498470350883 (1.04803e-08% change)
linmin: converged after 4 iterations.
iteration 109: trace = 6.720498469397505 (1.41861e-08% change)
linmin: converged after 5 iterations.
iteration 110: trace = 6.720498468545252 (1.26814e-08% change)
linmin: converged after 31 iterations.
iteration 111: trace = 6.720498468272286 (4.0617e-09% change)
large trace change predicted (9.26929e-09%)
linmin: converged after 5 iterations.
iteration 112: trace = 6.720498467649367 (9.26893e-09% change)
linmin: converged after 4 iterations.
iteration 113: trace = 6.720498466966988 (1.01537e-08% change)
linmin: converged after 10 iterations.
iteration 114: trace = 6.720498466587099 (5.65269e-09% change)
linmin: converged after 8 iterations.
iteration 115: trace = 6.720498466423583 (2.4331e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 6.72049846625117 (2.56547e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 6.720498466094205 (2.33562e-09% change)
linmin: converged after 30 iterations.
iteration 118: trace = 6.720498466028793 (9.73316e-10% change)
large trace change predicted (2.31059e-09%)
linmin: converged after 4 iterations.
iteration 119: trace = 6.720498465873534 (2.31024e-09% change)
linmin: converged after 10 iterations.
iteration 120: trace = 6.720498465800697 (1.0838e-09% change)
linmin: converged after 4 iterations.
iteration 121: trace = 6.720498465753364 (7.04305e-10% change)
linmin: converged after 18 iterations.
iteration 122: trace = 6.720498465699117 (8.07191e-10% change)
linmin: converged after 6 iterations.
iteration 123: trace = 6.720498465620707 (1.16672e-09% change)
linmin: converged after 4 iterations.
iteration 124: trace = 6.720498465592529 (4.1929e-10% change)
linmin: converged after 4 iterations.
iteration 125: trace = 6.72049846557295 (2.91333e-10% change)
linmin: converged after 3 iterations.
iteration 126: trace = 6.720498465558395 (2.16583e-10% change)
linmin: converged after 12 iterations.
iteration 127: trace = 6.720498465555194 (4.76303e-11% change)
Finished solving for bands 1 to 8 after 127 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808
elapsed time for k point: 0.7993392944335938
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.805955352031835 (0.370679% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.786471645847239 (0.286685% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.766412309853988 (0.296016% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.762821497824874 (0.0530823% change)
large trace change predicted (0.161507%)
linmin: converged after 4 iterations.
iteration 5: trace = 6.75155062614866 (0.166798% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.745349182879033 (0.0918943% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.741351558095389 (0.0592825% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.737815057785499 (0.0524736% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.736500260020686 (0.0195156% change)
large trace change predicted (0.0500717%)
linmin: converged after 3 iterations.
iteration 10: trace = 6.733113218000609 (0.0502916% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.731523332423912 (0.0236157% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.729172145607876 (0.0349341% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.726626433151624 (0.0378381% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.725266955478946 (0.0202124% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.722631950808276 (0.0391883% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.721297259955682 (0.0198557% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.71879867059258 (0.0371811% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.717806207398143 (0.0147725% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.716974623076929 (0.0123796% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.71637301711614 (0.0089569% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.716154275586822 (0.00325689% change)
large trace change predicted (0.0101656%)
linmin: converged after 4 iterations.
iteration 22: trace = 6.715471626096691 (0.0101648% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.71518347118853 (0.004291% change)
large trace change predicted (0.0113969%)
linmin: converged after 3 iterations.
iteration 24: trace = 6.714417828794597 (0.0114023% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.714023678705928 (0.00587038% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.713806562251935 (0.00323383% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.713579668693027 (0.00337956% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.713511728607021 (0.00101199% change)
large trace change predicted (0.0020878%)
linmin: converged after 3 iterations.
iteration 29: trace = 6.713371328352466 (0.00209133% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.713315046237599 (0.000838362% change)
large trace change predicted (0.00185104%)
linmin: converged after 4 iterations.
iteration 31: trace = 6.713190941339971 (0.00184866% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.713118652377476 (0.00107683% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.713048703061627 (0.00104198% change)
linmin: converged after 5 iterations.
iteration 34: trace = 6.712960185520178 (0.0013186% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.712939421020381 (0.00030932% change)
large trace change predicted (0.000713841%)
linmin: converged after 3 iterations.
iteration 36: trace = 6.712891502026764 (0.000713833% change)
linmin: converged after 4 iterations.
iteration 37: trace = 6.71288379616655 (0.000114792% change)
large trace change predicted (0.000489822%)
linmin: converged after 3 iterations.
iteration 38: trace = 6.712850923731485 (0.000489693% change)
linmin: converged after 6 iterations.
iteration 39: trace = 6.712831944322497 (0.000282733% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.712819122549863 (0.000191004% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.712799137569486 (0.000297714% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.712794544864233 (6.84172e-05% change)
large trace change predicted (0.000162524%)
linmin: converged after 5 iterations.
iteration 43: trace = 6.712783638493903 (0.000162472% change)
linmin: converged after 11 iterations.
iteration 44: trace = 6.712781295169769 (3.49084e-05% change)
large trace change predicted (8.74419e-05%)
linmin: converged after 4 iterations.
iteration 45: trace = 6.712775425436074 (8.74412e-05% change)
linmin: converged after 9 iterations.
iteration 46: trace = 6.712773786932622 (2.44087e-05% change)
large trace change predicted (5.15217e-05%)
linmin: converged after 3 iterations.
iteration 47: trace = 6.712770326994617 (5.15426e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.712767502420244 (4.20776e-05% change)
linmin: converged after 8 iterations.
iteration 49: trace = 6.712766705641736 (1.18696e-05% change)
large trace change predicted (4.49226e-05%)
linmin: converged after 3 iterations.
iteration 50: trace = 6.712763689647757 (4.49292e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.712763102132034 (8.75222e-06% change)
large trace change predicted (2.71658e-05%)
linmin: converged after 2 iterations.
iteration 52: trace = 6.71276127854624 (2.7166e-05% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.712760419286989 (1.28004e-05% change)
linmin: converged after 7 iterations.
iteration 54: trace = 6.712759718356282 (1.04418e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.71275902216277 (1.03712e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.71275884752382 (2.6016e-06% change)
large trace change predicted (8.44755e-06%)
linmin: converged after 4 iterations.
iteration 57: trace = 6.712758280566021 (8.44597e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.712758165037714 (1.72103e-06% change)
large trace change predicted (5.84499e-06%)
linmin: converged after 6 iterations.
iteration 59: trace = 6.712757772742973 (5.84402e-06% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.712757572256018 (2.98666e-06% change)
linmin: converged after 3 iterations.
iteration 61: trace = 6.712757429161202 (2.13168e-06% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.712757251596218 (2.64519e-06% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.712757218513527 (4.92833e-07% change)
large trace change predicted (1.75918e-06%)
linmin: converged after 4 iterations.
iteration 64: trace = 6.712757100419477 (1.75925e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.712757077191751 (3.46024e-07% change)
large trace change predicted (7.74689e-07%)
linmin: converged after 7 iterations.
iteration 66: trace = 6.712757025187551 (7.74707e-07% change)
linmin: converged after 6 iterations.
iteration 67: trace = 6.712756982435169 (6.36883e-07% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.712756959206528 (3.46037e-07% change)
linmin: converged after 2 iterations.
iteration 69: trace = 6.712756912967455 (6.88824e-07% change)
resetting CG direction...
linmin: converged after 24 iterations.
iteration 70: trace = 6.712756900835401 (1.80731e-07% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.712756887602744 (1.97127e-07% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.712756883382651 (6.28668e-08% change)
large trace change predicted (1.50453e-07%)
linmin: converged after 3 iterations.
iteration 73: trace = 6.712756873283277 (1.5045e-07% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.712756865378772 (1.17753e-07% change)
linmin: converged after 21 iterations.
iteration 75: trace = 6.712756859672806 (8.50018e-08% change)
large trace change predicted (2.04409e-07%)
linmin: converged after 6 iterations.
iteration 76: trace = 6.712756845951316 (2.04409e-07% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.712756843609621 (3.48842e-08% change)
large trace change predicted (1.27223e-07%)
linmin: converged after 4 iterations.
iteration 78: trace = 6.71275683506934 (1.27225e-07% change)
linmin: converged after 3 iterations.
iteration 79: trace = 6.712756830475133 (6.84399e-08% change)
linmin: converged after 6 iterations.
iteration 80: trace = 6.712756828633527 (2.74344e-08% change)
large trace change predicted (5.49577e-08%)
linmin: converged after 4 iterations.
iteration 81: trace = 6.712756824944322 (5.49581e-08% change)
linmin: converged after 4 iterations.
iteration 82: trace = 6.712756821598436 (4.98437e-08% change)
linmin: converged after 17 iterations.
iteration 83: trace = 6.712756819482644 (3.1519e-08% change)
linmin: converged after 10 iterations.
iteration 84: trace = 6.712756817407787 (3.09092e-08% change)
linmin: converged after 5 iterations.
iteration 85: trace = 6.712756816739338 (9.95788e-09% change)
large trace change predicted (2.35922e-08%)
linmin: converged after 3 iterations.
iteration 86: trace = 6.712756815155657 (2.35921e-08% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.712756814927111 (3.40465e-09% change)
large trace change predicted (1.14616e-08%)
linmin: converged after 18 iterations.
iteration 88: trace = 6.712756814157732 (1.14614e-08% change)
linmin: converged after 17 iterations.
iteration 89: trace = 6.712756813635045 (7.78647e-09% change)
linmin: converged after 14 iterations.
iteration 90: trace = 6.71275681341351 (3.30022e-09% change)
large trace change predicted (7.75074e-09%)
linmin: converged after 25 iterations.
iteration 91: trace = 6.712756812893209 (7.75092e-09% change)
linmin: converged after 9 iterations.
iteration 92: trace = 6.712756812760745 (1.97333e-09% change)
large trace change predicted (5.88918e-09%)
linmin: converged after 13 iterations.
iteration 93: trace = 6.712756812365424 (5.8891e-09% change)
linmin: converged after 3 iterations.
iteration 94: trace = 6.712756812003807 (5.387e-09% change)
linmin: converged after 7 iterations.
iteration 95: trace = 6.712756811899509 (1.55373e-09% change)
large trace change predicted (3.84346e-09%)
linmin: converged after 11 iterations.
iteration 96: trace = 6.712756811641516 (3.84332e-09% change)
linmin: converged after 2 iterations.
iteration 97: trace = 6.712756811536827 (1.55956e-09% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.712756811500308 (5.44014e-10% change)
large trace change predicted (1.79942e-09%)
linmin: converged after 7 iterations.
iteration 99: trace = 6.712756811379516 (1.79944e-09% change)
linmin: converged after 2 iterations.
iteration 100: trace = 6.712756811259492 (1.788e-09% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.712756811223127 (5.41738e-10% change)
linmin: converged after 10 iterations.
iteration 102: trace = 6.712756811167312 (8.31475e-10% change)
linmin: converged after 7 iterations.
iteration 103: trace = 6.712756811117374 (7.43924e-10% change)
linmin: converged after 2 iterations.
iteration 104: trace = 6.712756811108303 (1.3513e-10% change)
large trace change predicted (4.49877e-10%)
linmin: converged after 4 iterations.
iteration 105: trace = 6.712756811078102 (4.49901e-10% change)
linmin: converged after 2 iterations.
iteration 106: trace = 6.712756811070889 (1.07451e-10% change)
large trace change predicted (2.43029e-10%)
linmin: converged after 19 iterations.
iteration 107: trace = 6.712756811054567 (2.4315e-10% change)
linmin: converged after 9 iterations.
iteration 108: trace = 6.71275681103773 (2.50824e-10% change)
linmin: converged after 4 iterations.
iteration 109: trace = 6.712756811022556 (2.26042e-10% change)
linmin: converged after 4 iterations.
iteration 110: trace = 6.712756811015986 (9.78844e-11% change)
Finished solving for bands 1 to 8 after 110 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782
elapsed time for k point: 0.6924033164978027
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.804447595323905 (0.075091% change)
large trace change predicted (0.247841%)
linmin: converged after 3 iterations.
iteration 2: trace = 6.787509709560569 (0.249234% change)
linmin: converged after 12 iterations.
iteration 3: trace = 6.78416600758117 (0.0492747% change)
large trace change predicted (0.154108%)
linmin: converged after 4 iterations.
iteration 4: trace = 6.773847328685956 (0.152215% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.77251991858013 (0.019598% change)
large trace change predicted (0.0906904%)
linmin: converged after 4 iterations.
iteration 6: trace = 6.7662211737164 (0.0930477% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.765489412066492 (0.0108155% change)
large trace change predicted (0.0789839%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.759960406114532 (0.0817571% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.759700044533112 (0.0038516% change)
large trace change predicted (0.0309309%)
linmin: converged after 3 iterations.
iteration 10: trace = 6.757604007969362 (0.0310126% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.757369187106947 (0.00347497% change)
large trace change predicted (0.0247096%)
linmin: converged after 5 iterations.
iteration 12: trace = 6.755700380516066 (0.0246991% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.755504919641139 (0.00289332% change)
large trace change predicted (0.012852%)
linmin: converged after 4 iterations.
iteration 14: trace = 6.754652206748955 (0.0126233% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.754115945082325 (0.00793946% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.753542779465762 (0.00848653% change)
large trace change predicted (0.0199723%)
linmin: converged after 3 iterations.
iteration 17: trace = 6.752183335844688 (0.0201314% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.752084991574542 (0.00145649% change)
large trace change predicted (0.0158811%)
linmin: converged after 4 iterations.
iteration 19: trace = 6.751015956392777 (0.0158339% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.750877686058918 (0.00204816% change)
large trace change predicted (0.0154243%)
linmin: converged after 3 iterations.
iteration 21: trace = 6.749833216418178 (0.0154728% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.749728282010169 (0.00155463% change)
large trace change predicted (0.0115024%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.748952036441013 (0.0115011% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.748764551424209 (0.00277803% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.748476017419485 (0.00427545% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.748262776589692 (0.00315989% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.748165146398375 (0.00144676% change)
large trace change predicted (0.00385788%)
linmin: converged after 4 iterations.
iteration 28: trace = 6.747905822884305 (0.00384295% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.747846612381974 (0.000877469% change)
large trace change predicted (0.00317745%)
linmin: converged after 4 iterations.
iteration 30: trace = 6.747632836969705 (0.0031681% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.747606394525548 (0.000391878% change)
large trace change predicted (0.00306597%)
linmin: converged after 4 iterations.
iteration 32: trace = 6.747399953171819 (0.00305952% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.747387722078511 (0.000181271% change)
large trace change predicted (0.00242336%)
linmin: converged after 4 iterations.
iteration 34: trace = 6.747225018833506 (0.00241138% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.747193960227815 (0.000460318% change)
large trace change predicted (0.00107856%)
linmin: converged after 4 iterations.
iteration 36: trace = 6.747121438334209 (0.00107485% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.7470997718898 (0.000321122% change)
large trace change predicted (0.000751257%)
linmin: converged after 4 iterations.
iteration 38: trace = 6.747049150715911 (0.000750268% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.747008136779598 (0.000607881% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.746998870293799 (0.000137342% change)
large trace change predicted (0.000631497%)
linmin: converged after 3 iterations.
iteration 41: trace = 6.746956262489844 (0.000631509% change)
linmin: converged after 6 iterations.
iteration 42: trace = 6.746953504893698 (4.08717e-05% change)
large trace change predicted (0.000481256%)
linmin: converged after 3 iterations.
iteration 43: trace = 6.746921047716273 (0.000481065% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.746917366333847 (5.45639e-05% change)
large trace change predicted (0.0002699%)
linmin: converged after 5 iterations.
iteration 45: trace = 6.746899160425827 (0.000269841% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.746895008381835 (6.15401e-05% change)
large trace change predicted (0.00019307%)
linmin: converged after 3 iterations.
iteration 47: trace = 6.746881974266559 (0.000193187% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.746874481438184 (0.000111056% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.746868146557246 (9.38936e-05% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.746857504420103 (0.000157735% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.746855516675071 (2.94618e-05% change)
large trace change predicted (0.000214718%)
linmin: converged after 6 iterations.
iteration 52: trace = 6.746841037554336 (0.000214606% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.746840193062241 (1.25169e-05% change)
large trace change predicted (9.3173e-05%)
linmin: converged after 3 iterations.
iteration 54: trace = 6.746833909627384 (9.31316e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.746833185015451 (1.074e-05% change)
large trace change predicted (5.96415e-05%)
linmin: converged after 3 iterations.
iteration 56: trace = 6.746829162576902 (5.96197e-05% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.746828725834517 (6.4733e-06% change)
large trace change predicted (2.46714e-05%)
linmin: converged after 5 iterations.
iteration 58: trace = 6.74682706211512 (2.46593e-05% change)
linmin: converged after 5 iterations.
iteration 59: trace = 6.746825889499674 (1.73803e-05% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.746825452545512 (6.47644e-06% change)
large trace change predicted (2.95798e-05%)
linmin: converged after 3 iterations.
iteration 61: trace = 6.746823456681524 (2.95823e-05% change)
linmin: converged after 7 iterations.
iteration 62: trace = 6.746823127211622 (4.88333e-06% change)
large trace change predicted (2.68474e-05%)
linmin: converged after 5 iterations.
iteration 63: trace = 6.746821315951441 (2.68461e-05% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.74682118432021 (1.95101e-06% change)
large trace change predicted (1.52566e-05%)
linmin: converged after 4 iterations.
iteration 65: trace = 6.746820154908292 (1.52577e-05% change)
linmin: converged after 7 iterations.
iteration 66: trace = 6.746820081622887 (1.08622e-06% change)
large trace change predicted (7.08718e-06%)
linmin: converged after 3 iterations.
iteration 67: trace = 6.746819603431781 (7.08765e-06% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.746819452732547 (2.23363e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 6.74681925723311 (2.89765e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.746819149107638 (1.60261e-06% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.746819008753461 (2.0803e-06% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.746818910253522 (1.45995e-06% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.746818745187227 (2.44658e-06% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.746818616830524 (1.90248e-06% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.746818399211371 (3.22551e-06% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.74681828538086 (1.68717e-06% change)
linmin: converged after 2 iterations.
iteration 77: trace = 6.746818109865201 (2.60146e-06% change)
linmin: converged after 20 iterations.
iteration 78: trace = 6.746818071152347 (5.73794e-07% change)
large trace change predicted (1.5422e-06%)
linmin: converged after 4 iterations.
iteration 79: trace = 6.746817967105337 (1.54216e-06% change)
linmin: converged after 8 iterations.
iteration 80: trace = 6.746817914381793 (7.81458e-07% change)
linmin: converged after 9 iterations.
iteration 81: trace = 6.746817907083527 (1.08173e-07% change)
large trace change predicted (1.24553e-06%)
linmin: converged after 2 iterations.
iteration 82: trace = 6.74681782304615 (1.24559e-06% change)
linmin: converged after 13 iterations.
iteration 83: trace = 6.74681781661431 (9.53314e-08% change)
large trace change predicted (1.0668e-06%)
linmin: converged after 8 iterations.
iteration 84: trace = 6.746817744641013 (1.06677e-06% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.746817736393177 (1.22248e-07% change)
large trace change predicted (5.15241e-07%)
linmin: converged after 3 iterations.
iteration 86: trace = 6.746817701631278 (5.15234e-07% change)
linmin: converged after 5 iterations.
iteration 87: trace = 6.746817697536646 (6.06898e-08% change)
large trace change predicted (2.33444e-07%)
linmin: converged after 4 iterations.
iteration 88: trace = 6.746817681786828 (2.33441e-07% change)
linmin: converged after 5 iterations.
iteration 89: trace = 6.746817679575117 (3.27815e-08% change)
large trace change predicted (2.03086e-07%)
linmin: converged after 3 iterations.
iteration 90: trace = 6.746817665873402 (2.03084e-07% change)
linmin: converged after 21 iterations.
iteration 91: trace = 6.746817664988518 (1.31156e-08% change)
large trace change predicted (1.38685e-07%)
linmin: converged after 7 iterations.
iteration 92: trace = 6.746817655631772 (1.38684e-07% change)
linmin: converged after 3 iterations.
iteration 93: trace = 6.746817654085186 (2.29232e-08% change)
large trace change predicted (1.18599e-07%)
linmin: converged after 8 iterations.
iteration 94: trace = 6.746817646083493 (1.186e-07% change)
linmin: converged after 13 iterations.
iteration 95: trace = 6.746817640462645 (8.33111e-08% change)
linmin: converged after 7 iterations.
iteration 96: trace = 6.746817637625213 (4.20559e-08% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.74681763331078 (6.39477e-08% change)
linmin: converged after 5 iterations.
iteration 98: trace = 6.746817629968001 (4.9546e-08% change)
linmin: converged after 11 iterations.
iteration 99: trace = 6.7468176261558 (5.65037e-08% change)
linmin: converged after 7 iterations.
iteration 100: trace = 6.746817625992414 (2.42167e-09% change)
large trace change predicted (2.59342e-08%)
linmin: converged after 11 iterations.
iteration 101: trace = 6.746817624242672 (2.59343e-08% change)
linmin: converged after 20 iterations.
iteration 102: trace = 6.746817624100168 (2.11216e-09% change)
large trace change predicted (1.59034e-08%)
linmin: converged after 4 iterations.
iteration 103: trace = 6.746817623027193 (1.59034e-08% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.74681762290797 (1.7671e-09% change)
large trace change predicted (1.6433e-08%)
linmin: converged after 19 iterations.
iteration 105: trace = 6.746817621799271 (1.64329e-08% change)
linmin: converged after 33 iterations.
iteration 106: trace = 6.74681762171291 (1.28003e-09% change)
large trace change predicted (1.75521e-08%)
linmin: converged after 4 iterations.
iteration 107: trace = 6.746817620528712 (1.75519e-08% change)
linmin: converged after 6 iterations.
iteration 108: trace = 6.74681762045374 (1.11122e-09% change)
large trace change predicted (1.18806e-08%)
linmin: converged after 22 iterations.
iteration 109: trace = 6.746817619652177 (1.18806e-08% change)
linmin: converged after 6 iterations.
iteration 110: trace = 6.746817619405686 (3.65344e-09% change)
linmin: converged after 3 iterations.
iteration 111: trace = 6.746817619222378 (2.71695e-09% change)
linmin: converged after 22 iterations.
iteration 112: trace = 6.746817619074591 (2.19048e-09% change)
linmin: converged after 2 iterations.
iteration 113: trace = 6.746817619026851 (7.07587e-10% change)
large trace change predicted (3.27373e-09%)
linmin: converged after 4 iterations.
iteration 114: trace = 6.746817618805972 (3.27383e-09% change)
linmin: converged after 4 iterations.
iteration 115: trace = 6.746817618788889 (2.53204e-10% change)
large trace change predicted (2.65445e-09%)
linmin: converged after 4 iterations.
iteration 116: trace = 6.746817618609805 (2.65434e-09% change)
linmin: converged after 18 iterations.
iteration 117: trace = 6.746817618591581 (2.7012e-10% change)
large trace change predicted (1.0326e-09%)
linmin: converged after 12 iterations.
iteration 118: trace = 6.746817618521913 (1.0326e-09% change)
linmin: converged after 10 iterations.
iteration 119: trace = 6.746817618511382 (1.5609e-10% change)
large trace change predicted (1.35052e-09%)
linmin: converged after 2 iterations.
iteration 120: trace = 6.746817618420272 (1.3504e-09% change)
linmin: converged after 18 iterations.
iteration 121: trace = 6.746817618406766 (2.00191e-10% change)
large trace change predicted (1.7203e-09%)
linmin: converged after 10 iterations.
iteration 122: trace = 6.746817618290709 (1.72017e-09% change)
linmin: converged after 11 iterations.
iteration 123: trace = 6.746817618281478 (1.36831e-10% change)
large trace change predicted (1.19037e-09%)
linmin: converged after 4 iterations.
iteration 124: trace = 6.74681761820117 (1.1903e-09% change)
linmin: converged after 16 iterations.
iteration 125: trace = 6.746817618186881 (2.11789e-10% change)
linmin: converged after 15 iterations.
iteration 126: trace = 6.74681761816829 (2.75557e-10% change)
linmin: converged after 11 iterations.
iteration 127: trace = 6.746817618151576 (2.47728e-10% change)
linmin: converged after 6 iterations.
iteration 128: trace = 6.746817618140278 (1.67464e-10% change)
linmin: converged after 13 iterations.
iteration 129: trace = 6.746817618132886 (1.09554e-10% change)
linmin: converged after 3 iterations.
iteration 130: trace = 6.746817618121986 (1.61567e-10% change)
linmin: converged after 2 iterations.
iteration 131: trace = 6.746817618106294 (2.32576e-10% change)
linmin: converged after 5 iterations.
iteration 132: trace = 6.746817618105011 (1.90226e-11% change)
Finished solving for bands 1 to 8 after 132 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663
elapsed time for k point: 0.8298492431640625
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.925814500596418 (0.213094% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.912656408360107 (0.190167% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.904258247585227 (0.121563% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.896682475678196 (0.109786% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.893477598605052 (0.0464806% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.89027467957257 (0.0464738% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.887461836997099 (0.0408317% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.882497275426465 (0.0721071% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.879290874293486 (0.0465986% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.875156897538091 (0.0601111% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.872798201194945 (0.0343134% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.870794994806168 (0.0291511% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.868395881036607 (0.0349237% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.86621439556751 (0.0317663% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.864840060452693 (0.0200179% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.864049033521961 (0.0115235% change)
large trace change predicted (0.0249855%)
linmin: converged after 3 iterations.
iteration 17: trace = 6.862313276187908 (0.0252909% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.860715224253143 (0.0232901% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.859968809484593 (0.0108801% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.859391947998565 (0.00840945% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.858827502382783 (0.00822914% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.858164410591376 (0.00966818% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.857406145261944 (0.011057% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.856832784686063 (0.00836154% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.856491556212852 (0.0049766% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.856252194382823 (0.00349109% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.856048890634965 (0.00296528% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.855800374166336 (0.00362484% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.855651394979553 (0.00217306% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.855512431528354 (0.00202701% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.855355716860478 (0.00228599% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.855230958647358 (0.00181988% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.855155357961117 (0.00110282% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.855094916541149 (0.000881697% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.85502521717437 (0.00101676% change)
linmin: converged after 7 iterations.
iteration 36: trace = 6.854917688010056 (0.00156863% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.854865488480574 (0.000761493% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.854810981191307 (0.000795165% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.854754429052387 (0.000825003% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.854698860222133 (0.000810664% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.854636654728656 (0.000907491% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.854585360152608 (0.000748322% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.854557541681724 (0.000405838% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.854534987637432 (0.000329038% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.854507849304162 (0.000395919% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.854474000119207 (0.000493825% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.854448910897645 (0.000366028% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.854430742783726 (0.000265056% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.854409551795755 (0.000309158% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.854386819143956 (0.000331651% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.854372356342974 (0.000211001% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.854363722046957 (0.000125968% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.854355940080093 (0.000113533% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.854348218303488 (0.000112655% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.85434181489553 (9.34212e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.854336867231474 (7.21829e-05% change)
linmin: converged after 6 iterations.
iteration 57: trace = 6.854332981170005 (5.66949e-05% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.854328856284635 (6.01793e-05% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.854325493270705 (4.90641e-05% change)
linmin: converged after 2 iterations.
iteration 60: trace = 6.854320731041433 (6.94777e-05% change)
linmin: converged after 2 iterations.
iteration 61: trace = 6.854317900614725 (4.12941e-05% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.854316466541417 (2.09222e-05% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.854314812325643 (2.41339e-05% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.854312707976328 (3.07011e-05% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.854310570267851 (3.11878e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 6.854309275647925 (1.88877e-05% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.854307864026026 (2.05947e-05% change)
linmin: converged after 5 iterations.
iteration 68: trace = 6.854306225836385 (2.39001e-05% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.854304757597444 (2.14207e-05% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 70: trace = 6.85430429181651 (6.79545e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 6.854303980839092 (4.53697e-06% change)
linmin: converged after 2 iterations.
iteration 72: trace = 6.854303707007329 (3.99503e-06% change)
linmin: converged after 4 iterations.
iteration 73: trace = 6.854303306237795 (5.84698e-06% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.854303028457227 (4.05264e-06% change)
linmin: converged after 3 iterations.
iteration 75: trace = 6.854302857018638 (2.50118e-06% change)
linmin: converged after 2 iterations.
iteration 76: trace = 6.854302716414224 (2.05133e-06% change)
linmin: converged after 5 iterations.
iteration 77: trace = 6.854302589324328 (1.85416e-06% change)
linmin: converged after 3 iterations.
iteration 78: trace = 6.854302422020374 (2.44086e-06% change)
linmin: converged after 2 iterations.
iteration 79: trace = 6.854302178650507 (3.55061e-06% change)
linmin: converged after 2 iterations.
iteration 80: trace = 6.854302043160593 (1.97671e-06% change)
linmin: converged after 5 iterations.
iteration 81: trace = 6.854301959862691 (1.21526e-06% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.854301838190406 (1.77512e-06% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.854301701143552 (1.99943e-06% change)
linmin: converged after 5 iterations.
iteration 84: trace = 6.854301574127346 (1.85309e-06% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.854301492731233 (1.18752e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 6.854301369172781 (1.80264e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 6.854301206108594 (2.37901e-06% change)
linmin: converged after 8 iterations.
iteration 88: trace = 6.854301115047358 (1.32853e-06% change)
linmin: converged after 3 iterations.
iteration 89: trace = 6.854301061403404 (7.82632e-07% change)
linmin: converged after 7 iterations.
iteration 90: trace = 6.854301010580798 (7.4147e-07% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.854300954169966 (8.22999e-07% change)
linmin: converged after 7 iterations.
iteration 92: trace = 6.854300910079177 (6.43257e-07% change)
linmin: converged after 16 iterations.
iteration 93: trace = 6.854300884305875 (3.76016e-07% change)
linmin: converged after 2 iterations.
iteration 94: trace = 6.854300873282439 (1.60825e-07% change)
linmin: converged after 19 iterations.
iteration 95: trace = 6.85430086333042 (1.45194e-07% change)
linmin: converged after 8 iterations.
iteration 96: trace = 6.854300852297724 (1.6096e-07% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.854300845288805 (1.02256e-07% change)
linmin: converged after 2 iterations.
iteration 98: trace = 6.854300839717113 (8.12875e-08% change)
linmin: converged after 2 iterations.
iteration 99: trace = 6.85430083316451 (9.55984e-08% change)
linmin: converged after 25 iterations.
iteration 100: trace = 6.854300825010949 (1.18955e-07% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.854300821499368 (5.12318e-08% change)
linmin: converged after 4 iterations.
iteration 102: trace = 6.854300819427277 (3.02305e-08% change)
linmin: converged after 10 iterations.
iteration 103: trace = 6.854300816199123 (4.70968e-08% change)
linmin: converged after 6 iterations.
iteration 104: trace = 6.854300810980634 (7.61345e-08% change)
linmin: converged after 3 iterations.
iteration 105: trace = 6.854300805509967 (7.98136e-08% change)
linmin: converged after 2 iterations.
iteration 106: trace = 6.854300800803374 (6.86663e-08% change)
linmin: converged after 3 iterations.
iteration 107: trace = 6.854300798635795 (3.16236e-08% change)
linmin: converged after 6 iterations.
iteration 108: trace = 6.854300795765834 (4.1871e-08% change)
large trace change predicted (8.5378e-08%)
linmin: converged after 2 iterations.
iteration 109: trace = 6.854300789913748 (8.53783e-08% change)
linmin: converged after 3 iterations.
iteration 110: trace = 6.854300784491166 (7.91121e-08% change)
linmin: converged after 4 iterations.
iteration 111: trace = 6.854300782610951 (2.74312e-08% change)
linmin: converged after 3 iterations.
iteration 112: trace = 6.854300781013686 (2.33031e-08% change)
linmin: converged after 5 iterations.
iteration 113: trace = 6.854300777960276 (4.45474e-08% change)
linmin: converged after 11 iterations.
iteration 114: trace = 6.854300776068537 (2.75993e-08% change)
linmin: converged after 2 iterations.
iteration 115: trace = 6.85430077514526 (1.347e-08% change)
linmin: converged after 4 iterations.
iteration 116: trace = 6.854300773914987 (1.79489e-08% change)
linmin: converged after 17 iterations.
iteration 117: trace = 6.854300773064537 (1.24075e-08% change)
linmin: converged after 14 iterations.
iteration 118: trace = 6.854300772502087 (8.2058e-09% change)
linmin: converged after 21 iterations.
iteration 119: trace = 6.854300772109052 (5.73414e-09% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.854300771873268 (3.43994e-09% change)
linmin: converged after 3 iterations.
iteration 121: trace = 6.854300771710194 (2.37915e-09% change)
linmin: converged after 6 iterations.
iteration 122: trace = 6.854300771427565 (4.12338e-09% change)
linmin: converged after 4 iterations.
iteration 123: trace = 6.854300771301659 (1.83688e-09% change)
linmin: converged after 4 iterations.
iteration 124: trace = 6.854300771230674 (1.03563e-09% change)
linmin: converged after 10 iterations.
iteration 125: trace = 6.854300771170164 (8.82801e-10% change)
linmin: converged after 3 iterations.
iteration 126: trace = 6.854300771103524 (9.72237e-10% change)
linmin: converged after 11 iterations.
iteration 127: trace = 6.854300771047175 (8.22106e-10% change)
linmin: converged after 3 iterations.
iteration 128: trace = 6.854300771013627 (4.89449e-10% change)
linmin: converged after 5 iterations.
iteration 129: trace = 6.85430077098893 (3.60309e-10% change)
linmin: converged after 7 iterations.
iteration 130: trace = 6.854300770974116 (2.16126e-10% change)
linmin: converged after 3 iterations.
iteration 131: trace = 6.854300770966613 (1.09456e-10% change)
linmin: converged after 2 iterations.
iteration 132: trace = 6.854300770959935 (9.7431e-11% change)
Finished solving for bands 2 to 8 after 132 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597
elapsed time for k point: 0.6836731433868408
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0>
Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0>
Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0>
Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0>
Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582%
Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368%
total elapsed time for run: 13.53028655052185
done
mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill"
Outputting /tmp/meepg15Lzl/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/meepg15Lzl/test_run_te_with_mu_material-0: 13.54s
/tmp/meepg15Lzl/test_run_tm-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0014109611511230469
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...
near maximum in trace
linmin: converged after 16 iterations.
iteration 1: trace = 13.34219610907316 (195.048% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.483795574134645 (83.4846% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.748523532084566 (14.3716% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.479228674664691 (5.83663% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.407766153594937 (1.60825% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.393474956211726 (0.324754% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.387914820096039 (0.126635% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.384214110536306 (0.0843743% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.382673979920479 (0.0351352% change)
linmin: converged after 6 iterations.
iteration 10: trace = 4.381187024151515 (0.0339338% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.378592064872483 (0.0592471% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.375630652773514 (0.0676568% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.374037327479996 (0.0364202% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.373782477119388 (0.0058266% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.373742613479035 (0.000911427% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.373730192660378 (0.000283986% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.373724731090828 (0.000124872% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.373723431190648 (2.97207e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.373722977266439 (1.03784e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.373722547638314 (9.82294e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.373721986616824 (1.28271e-05% change)
linmin: converged after 8 iterations.
iteration 22: trace = 4.373721450686105 (1.22534e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.373721224632515 (5.16845e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.373721180253412 (1.01468e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.373721172520035 (1.76815e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.373721170365219 (4.92674e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.373721169530104 (1.90939e-08% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.373721169259862 (6.17878e-09% change)
linmin: converged after 28 iterations.
iteration 29: trace = 4.373721169186911 (1.66793e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.373721169145532 (9.4609e-10% change)
linmin: converged after 11 iterations.
iteration 31: trace = 4.373721169066987 (1.79584e-09% change)
linmin: converged after 3 iterations.
iteration 32: trace = 4.373721168966431 (2.2991e-09% change)
linmin: converged after 5 iterations.
iteration 33: trace = 4.373721168940524 (5.92319e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 4.373721168933659 (1.56974e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 4.37372116892797 (1.30067e-10% change)
linmin: converged after 4 iterations.
iteration 36: trace = 4.373721168920043 (1.81241e-10% change)
linmin: converged after 6 iterations.
iteration 37: trace = 4.373721168904344 (3.58949e-10% change)
large trace change predicted (9.95405e-10%)
linmin: converged after 5 iterations.
iteration 38: trace = 4.373721168860811 (9.95315e-10% change)
large trace change predicted (4.53523e-09%)
linmin: converged after 6 iterations.
iteration 39: trace = 4.373721168662423 (4.53591e-09% change)
large trace change predicted (2.07011e-08%)
linmin: converged after 3 iterations.
iteration 40: trace = 4.373721167757034 (2.07007e-08% change)
large trace change predicted (8.12557e-08%)
linmin: converged after 4 iterations.
iteration 41: trace = 4.373721164203222 (8.12537e-08% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.37372115830691 (1.34812e-07% change)
linmin: converged after 5 iterations.
iteration 43: trace = 4.373721154436483 (8.84928e-08% change)
linmin: converged after 11 iterations.
iteration 44: trace = 4.373721151274946 (7.22848e-08% change)
large trace change predicted (2.03287e-07%)
linmin: converged after 6 iterations.
iteration 45: trace = 4.373721142383832 (2.03285e-07% change)
large trace change predicted (4.92802e-07%)
linmin: converged after 6 iterations.
iteration 46: trace = 4.373721120833393 (4.92725e-07% change)
linmin: converged after 4 iterations.
iteration 47: trace = 4.37372107793805 (9.80752e-07% change)
large trace change predicted (2.055e-06%)
linmin: converged after 6 iterations.
iteration 48: trace = 4.373720988609533 (2.04239e-06% change)
linmin: converged after 6 iterations.
iteration 49: trace = 4.373720903699593 (1.94137e-06% change)
linmin: converged after 9 iterations.
iteration 50: trace = 4.373720867145784 (8.3576e-07% change)
linmin: converged after 6 iterations.
iteration 51: trace = 4.37372085603617 (2.54008e-07% change)
linmin: converged after 9 iterations.
iteration 52: trace = 4.373720853582015 (5.61114e-08% change)
linmin: converged after 5 iterations.
iteration 53: trace = 4.373720853002698 (1.32454e-08% change)
linmin: converged after 7 iterations.
iteration 54: trace = 4.373720852585022 (9.54968e-09% change)
linmin: converged after 5 iterations.
iteration 55: trace = 4.373720851986538 (1.36836e-08% change)
linmin: converged after 8 iterations.
iteration 56: trace = 4.373720851520712 (1.06506e-08% change)
linmin: converged after 4 iterations.
iteration 57: trace = 4.373720851245481 (6.29284e-09% change)
linmin: converged after 7 iterations.
iteration 58: trace = 4.373720851095249 (3.43487e-09% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.373720851044093 (1.16963e-09% change)
linmin: converged after 4 iterations.
iteration 60: trace = 4.373720851034473 (2.19947e-10% change)
linmin: converged after 5 iterations.
iteration 61: trace = 4.373720851032822 (3.7751e-11% change)
Finished solving for bands 2 to 8 after 61 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
elapsed time for k point: 0.16658401489257812
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.357909575996686 (1.16097% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.317128641663713 (0.94019% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.299320136589965 (0.413361% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.292732191285522 (0.15335% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.291500652316352 (0.028693% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.291042414673696 (0.0106784% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.290902808716371 (0.00325348% change)
linmin: converged after 6 iterations.
iteration 8: trace = 4.2908721193893 (0.000715221% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.29086322736101 (0.000207231% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.290859496337257 (8.69528e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.290858035134088 (3.40539e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.290857390244804 (1.50294e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.290857285462815 (2.44198e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.290857271945756 (3.1502e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.290857267538623 (1.0271e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 4.290857264553208 (6.95762e-08% change)
linmin: converged after 11 iterations.
iteration 17: trace = 4.290857263488306 (2.48179e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.290857263235813 (5.88445e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.290857263156709 (1.84354e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.290857263115525 (9.59807e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.290857263096176 (4.50935e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.290857263085615 (2.46136e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.290857263081678 (9.17394e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995
elapsed time for k point: 0.07734823226928711
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 4.213083007783039 (0.515635% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.209110336657865 (0.0943382% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.208519740783887 (0.0140324% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.208361881259739 (0.00375102% change)
linmin: converged after 9 iterations.
iteration 5: trace = 4.208319555170494 (0.00100577% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.208309586621548 (0.000236877% change)
linmin: converged after 20 iterations.
iteration 7: trace = 4.208308119593188 (3.48603e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.208307969493156 (3.56675e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.2083079596792 (2.33204e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.208307958636428 (2.47789e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.208307958537226 (2.35728e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.208307958520758 (3.91314e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.208307958519128 (3.87494e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959
elapsed time for k point: 0.04478907585144043
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.153950019179923 (0.446607% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.15091918802987 (0.0729893% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.15050869675084 (0.00988965% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.150451660631781 (0.00137421% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.150445322388979 (0.000152712% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.150444374952527 (2.28273e-05% change)
linmin: converged after 38 iterations.
iteration 7: trace = 4.150444119567911 (6.15319e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.150444028145889 (2.2027e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.150444017167716 (2.64506e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.150444015934402 (2.97152e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.150444015836717 (2.35361e-09% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.150444015829235 (1.8027e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.150444015828805 (1.03574e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025
elapsed time for k point: 0.04490065574645996
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.123910812539464 (0.437379% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.120357431810314 (0.0862025% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.11975343523068 (0.0146599% change)
linmin: converged after 12 iterations.
iteration 4: trace = 4.119635726773534 (0.00285721% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.119609536145701 (0.000635753% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.119601717815895 (0.000189783% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.119598937494709 (6.74901e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.119598626308932 (7.55379e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.119598600539519 (6.25532e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.119598598763422 (4.31134e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.119598598629699 (3.24603e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.119598598622139 (1.83496e-10% change)
linmin: converged after 9 iterations.
iteration 13: trace = 4.119598598621693 (1.08446e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269
elapsed time for k point: 0.04453921318054199
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.117165244646566 (0.467232% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.112183070107313 (0.121083% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.111188770166868 (0.0241823% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.110889360751742 (0.00728306% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.11080703996452 (0.00200253% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.110783674084841 (0.000568403% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.110777732801953 (0.000144529% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.110777279787365 (1.10202e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.110777245125225 (8.43202e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.110777242910481 (5.38765e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.110777242738061 (4.19433e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.110777242727878 (2.47714e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.110777242725122 (6.70437e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856
elapsed time for k point: 0.04442000389099121
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.110059673681176 (0.898081% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.101196127928676 (0.215888% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.099627971489972 (0.0382439% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.099504340254176 (0.00301572% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.099491102143227 (0.00032292% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.099490015388635 (2.65095e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.099489970449423 (1.09621e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.09948996603966 (1.07569e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.099489964533704 (3.67352e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.099489964290493 (5.93271e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.099489964275826 (3.57785e-10% change)
linmin: converged after 16 iterations.
iteration 12: trace = 4.0994899642748 (2.50237e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714
elapsed time for k point: 0.04143977165222168
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.085144174621296 (0.762403% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.08011930367582 (0.123079% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.079494012385525 (0.0153265% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.079455619800634 (0.000941116% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.079453223619909 (5.87378e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.079452946245483 (6.7993e-06% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.07945290434498 (1.02711e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.079452897007465 (1.79865e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.079452895879314 (2.76545e-08% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.079452895806834 (1.7767e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.079452895803481 (8.21893e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395
elapsed time for k point: 0.038037776947021484
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.072736189550774 (0.634086% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.069415883231338 (0.0815584% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.068882752148268 (0.0131018% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.068777004347965 (0.00259897% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.068760919591241 (0.000395322% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.06875937327654 (3.80046e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.068759282973239 (2.21943e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.068759277104999 (1.44227e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.068759276275498 (2.03871e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.068759276139259 (3.34843e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.068759276129624 (2.36803e-10% change)
linmin: converged after 17 iterations.
iteration 12: trace = 4.068759276129136 (1.19842e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203
elapsed time for k point: 0.04112696647644043
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.08041013089164 (0.563614% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.077287055235417 (0.0765676% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.076189573111655 (0.0269206% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.075628903758915 (0.0137557% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.075534314324658 (0.00232088% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.075527488473313 (0.000167484% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.075526996525165 (1.20708e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.075526953563658 (1.05413e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.075526950544544 (7.40791e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.075526949795472 (1.83798e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.075526949476022 (7.83823e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.075526949369352 (2.61734e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.075526949350733 (4.56846e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.075526949349669 (2.6108e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273
elapsed time for k point: 0.04763054847717285
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.109437150043243 (0.504849% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.105335792815202 (0.0998532% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.100307330549152 (0.122561% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.093803283589705 (0.158749% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.092241780664407 (0.0381504% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.092157123982815 (0.00206873% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.092151257465511 (0.00014336% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.0921506669632 (1.44301e-05% change)
linmin: converged after 29 iterations.
iteration 9: trace = 4.092150601221075 (1.60654e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.092150512656763 (2.16425e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.09215044281785 (1.70666e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.092150434447509 (2.04546e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.092150433678662 (1.87883e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.092150433621977 (1.38522e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.092150433618236 (9.14191e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351
elapsed time for k point: 0.051015377044677734
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.126496078681969 (1.11623% change)
linmin: converged after 6 iterations.
iteration 2: trace = 4.089161341909401 (0.908868% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.060628566573646 (0.700209% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.050071416799578 (0.260326% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.047172154678076 (0.0716111% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.046719139224234 (0.011194% change)
linmin: converged after 11 iterations.
iteration 7: trace = 4.046656969292219 (0.00153632% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.046652828279984 (0.000102332% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.046652402979405 (1.05099e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.04665226257679 (3.4696e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.046652203574181 (1.45806e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.04665218541018 (4.48865e-07% change)
linmin: converged after 23 iterations.
iteration 13: trace = 4.046652183788301 (4.00795e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.046652183683065 (2.60056e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.046652183677345 (1.41348e-10% change)
linmin: converged after 16 iterations.
iteration 16: trace = 4.046652183676483 (2.1312e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991
elapsed time for k point: 0.05426597595214844
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.050135770394939 (0.874564% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.045155903188745 (0.123031% change)
linmin: converged after 7 iterations.
iteration 3: trace = 4.04457112881917 (0.0144572% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.044524919705128 (0.0011425% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.044514961032788 (0.000246226% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.044513397485701 (3.86585e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.04451325570943 (3.5054e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.044513238601187 (4.22999e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.044513236602917 (4.94069e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.044513236418492 (4.55988e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.044513236398149 (5.02974e-10% change)
linmin: converged after 7 iterations.
iteration 12: trace = 4.044513236396847 (3.21935e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446
elapsed time for k point: 0.041252851486206055
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.118867255840204 (0.847851% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.114002611070052 (0.118176% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.113487291394074 (0.0125268% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.113430197532734 (0.00138798% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.113416441704805 (0.000334413% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.113415367601677 (2.61122e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.113415271030414 (2.34771e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.113415260853634 (2.47405e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.113415259902214 (2.31297e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.113415259769443 (3.22776e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.113415259756536 (3.13778e-10% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.11341525975549 (2.54357e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551
elapsed time for k point: 0.04122447967529297
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.250028477177 (0.917879% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.242313588668811 (0.18169% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.241112167052032 (0.028324% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.240834092995955 (0.00655685% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.240767169311717 (0.00157809% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.240753129287403 (0.000331073% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.240750094772398 (7.15561e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.240749691476934 (9.51e-06% change)
linmin: converged after 33 iterations.
iteration 9: trace = 4.240749647343285 (1.0407e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.240749642492671 (1.14381e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.240749642080627 (9.71629e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.240749642034733 (1.08221e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.240749642029137 (1.31968e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.240749642028246 (2.10067e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882
elapsed time for k point: 0.0475921630859375
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.407939681690654 (1.14495% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.390606022122198 (0.394012% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.386367409936335 (0.0965848% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.384518225127845 (0.0421664% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.382809892382419 (0.0389704% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.380355369238089 (0.0560191% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.377811906462298 (0.0580821% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.375795817305982 (0.046063% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.374248315398593 (0.0353713% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.373812357837435 (0.00996695% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.373736281003573 (0.00173939% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.373725631015397 (0.000243499% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.373723713248079 (4.38475e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.373723043717632 (1.5308e-05% change)
linmin: converged after 9 iterations.
iteration 15: trace = 4.373722607982313 (9.96257e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.373722430078789 (4.06755e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.373722281618466 (3.39437e-06% change)
large trace change predicted (8.38717e-06%)
linmin: converged after 5 iterations.
iteration 18: trace = 4.373721914772871 (8.38749e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.373721775011068 (3.19549e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.373721750853678 (5.5233e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.373721743706459 (1.63413e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.373721741956021 (4.00217e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.373721741656272 (6.8534e-09% change)
linmin: converged after 6 iterations.
iteration 24: trace = 4.37372174151351 (3.26409e-09% change)
linmin: converged after 12 iterations.
iteration 25: trace = 4.373721741466444 (1.0761e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 4.373721741452075 (3.28549e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.373721741432764 (4.41518e-10% change)
large trace change predicted (8.94441e-10%)
linmin: converged after 10 iterations.
iteration 28: trace = 4.373721741393643 (8.94449e-10% change)
linmin: converged after 12 iterations.
iteration 29: trace = 4.373721741340017 (1.22611e-09% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.37372174131413 (5.91872e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 4.37372174130407 (2.29999e-10% change)
large trace change predicted (8.8515e-10%)
linmin: converged after 4 iterations.
iteration 32: trace = 4.373721741265362 (8.85026e-10% change)
large trace change predicted (1.78977e-09%)
linmin: converged after 3 iterations.
iteration 33: trace = 4.373721741187082 (1.78977e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 4.373721741036555 (3.44162e-09% change)
large trace change predicted (3.16488e-08%)
linmin: converged after 4 iterations.
iteration 35: trace = 4.373721739652334 (3.16486e-08% change)
large trace change predicted (1.81295e-07%)
linmin: converged after 4 iterations.
iteration 36: trace = 4.373721731723725 (1.81278e-07% change)
large trace change predicted (7.42215e-07%)
linmin: converged after 4 iterations.
iteration 37: trace = 4.373721699293694 (7.41474e-07% change)
large trace change predicted (1.81306e-06%)
linmin: converged after 7 iterations.
iteration 38: trace = 4.373721620557427 (1.80021e-06% change)
large trace change predicted (3.99382e-06%)
linmin: converged after 7 iterations.
iteration 39: trace = 4.373721449599707 (3.90875e-06% change)
linmin: converged after 16 iterations.
iteration 40: trace = 4.373721351488157 (2.24321e-06% change)
linmin: converged after 9 iterations.
iteration 41: trace = 4.373721289289993 (1.42209e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 4.373721192919876 (2.20339e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 4.373721122950544 (1.59977e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 4.37372102588002 (2.2194e-06% change)
linmin: converged after 6 iterations.
iteration 45: trace = 4.373720919585161 (2.43031e-06% change)
linmin: converged after 3 iterations.
iteration 46: trace = 4.373720871332154 (1.10325e-06% change)
linmin: converged after 10 iterations.
iteration 47: trace = 4.373720860378917 (2.50433e-07% change)
linmin: converged after 13 iterations.
iteration 48: trace = 4.373720857832792 (5.82142e-08% change)
linmin: converged after 8 iterations.
iteration 49: trace = 4.373720856551008 (2.93065e-08% change)
linmin: converged after 4 iterations.
iteration 50: trace = 4.373720854512562 (4.66067e-08% change)
linmin: converged after 5 iterations.
iteration 51: trace = 4.373720852662255 (4.23051e-08% change)
linmin: converged after 18 iterations.
iteration 52: trace = 4.373720851889837 (1.76604e-08% change)
linmin: converged after 7 iterations.
iteration 53: trace = 4.373720851692727 (4.50671e-09% change)
linmin: converged after 4 iterations.
iteration 54: trace = 4.373720851644104 (1.1117e-09% change)
linmin: converged after 4 iterations.
iteration 55: trace = 4.373720851631798 (2.81376e-10% change)
linmin: converged after 19 iterations.
iteration 56: trace = 4.37372085162005 (2.68603e-10% change)
linmin: converged after 28 iterations.
iteration 57: trace = 4.373720851604448 (3.56716e-10% change)
linmin: converged after 16 iterations.
iteration 58: trace = 4.373720851597927 (1.49095e-10% change)
linmin: converged after 16 iterations.
iteration 59: trace = 4.373720851594072 (8.81331e-11% change)
Finished solving for bands 2 to 8 after 59 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
.elapsed time for k point: 0.16035914421081543
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0>
Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386%
Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893%
total elapsed time for run: 0.9891383647918701
done
/tmp/meepg15Lzl/test_run_tm-0: 0.99s
/tmp/meepg15Lzl/test_set_eigenvectors-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013535022735595703
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14107251167297363
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.3937714099884033
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08740973472595215
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08002853393554688
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09299993515014648
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14530587196350098
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10954451560974121
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09413933753967285
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08076930046081543
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07727360725402832
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07733917236328125
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06092119216918945
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07065033912658691
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09667181968688965
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11305499076843262
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.24999117851257324
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9735190868377686
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013823509216308594
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.1411750316619873
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39560866355895996
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08734703063964844
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08014535903930664
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.0932164192199707
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14453744888305664
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10948634147644043
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.0932159423828125
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07988119125366211
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07660794258117676
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07671117782592773
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.060489654541015625
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07041263580322266
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.0964205265045166
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.1122884750366211
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2504267692565918
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9705710411071777
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013606548309326172
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14075779914855957
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39463067054748535
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.0868229866027832
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08032608032226562
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09312248229980469
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.1440904140472412
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10895895957946777
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09227514266967773
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.07990384101867676
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07675743103027344
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07635307312011719
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.06031513214111328
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07043194770812988
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09601283073425293
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11259078979492188
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 0.2501077651977539
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9660212993621826
done
/tmp/meepg15Lzl/test_set_eigenvectors-0: 5.91s
/tmp/meepg15Lzl/test_sq_rods-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013649463653564453
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...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 16.67252686302908 (193.833% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.425605351690049 (76.7439% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.413529606638005 (14.6263% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.997870542994756 (6.69802% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.79224276091566 (3.48814% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.704204927742786 (1.53157% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.662063364719285 (0.74152% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.645383220801679 (0.295029% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.636808514863864 (0.152004% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.632389510950197 (0.0784262% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.630973803281849 (0.0251383% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.630304289828852 (0.0118905% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.629948267451506 (0.00632352% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.629707527279325 (0.00427616% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.629494146577414 (0.00379033% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.629334770611416 (0.00283113% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.629195179750856 (0.00247974% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.629089143354889 (0.0018837% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.629015210328871 (0.00131342% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.628955227218207 (0.00106561% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.628918234635336 (0.000657186% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.628892160266109 (0.000463223% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.628877918707712 (0.000253009% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.62887054067606 (0.000131075% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.628866521545895 (7.14021e-05% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.628864944361903 (2.80196e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.628864428335529 (9.1675e-06% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.62886425401095 (3.09698e-06% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.628864199206571 (9.73631e-07% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.628864180871537 (3.25732e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.628864174355813 (1.15756e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.628864171803267 (4.53475e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.628864170678066 (1.99898e-08% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.628864170196785 (8.55023e-09% change)
linmin: converged after 15 iterations.
iteration 35: trace = 5.628864169964668 (4.12368e-09% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.628864169778796 (3.30212e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.628864169602519 (3.13167e-09% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.62886416940592 (3.4927e-09% change)
linmin: converged after 6 iterations.
iteration 39: trace = 5.628864169253106 (2.71482e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.628864169153889 (1.76264e-09% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.628864169097572 (1.00051e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.628864169061677 (6.37692e-10% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.628864169036878 (4.40565e-10% change)
linmin: converged after 4 iterations.
iteration 44: trace = 5.628864169022913 (2.48093e-10% change)
linmin: converged after 6 iterations.
iteration 45: trace = 5.628864169016424 (1.15281e-10% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.628864169013057 (5.98182e-11% change)
Finished solving for bands 2 to 8 after 46 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859
elapsed time for k point: 0.12508654594421387
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 14 iterations.
iteration 1: trace = 5.662598383811167 (0.236431% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.655498054240403 (0.125469% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.653351656918011 (0.0379596% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.652109656699427 (0.0219717% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.651455832959613 (0.0115685% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.650961670354926 (0.00874437% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.650673951221756 (0.00509164% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.650503338619175 (0.00301938% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.650430417719853 (0.00129053% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.650387262435861 (0.000763755% change)
linmin: converged after 6 iterations.
iteration 11: trace = 5.650369556589035 (0.000313357% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.650362805815968 (0.000119475% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.650360400668589 (4.25663e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.650359822550923 (1.02315e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.650359570379916 (4.46292e-06% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.650359460721299 (1.94074e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.650359418358622 (7.49734e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.650359402314912 (2.83941e-07% change)
linmin: converged after 38 iterations.
iteration 19: trace = 5.650359397610181 (8.32643e-08% change)
linmin: converged after 13 iterations.
iteration 20: trace = 5.650359395697382 (3.38527e-08% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.650359394584283 (1.96996e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.650359393286076 (2.29757e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.650359391538196 (3.09339e-08% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.650359389901621 (2.89641e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.650359388475083 (2.52469e-08% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.650359386379993 (3.70789e-08% change)
large trace change predicted (9.58039e-08%)
linmin: converged after 5 iterations.
iteration 27: trace = 5.650359380966579 (9.58065e-08% change)
near maximum in trace
linmin: converged after 15 iterations.
iteration 28: trace = 5.650291267622267 (0.00120548% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.650291192580686 (1.3281e-06% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.65029111828439 (1.31491e-06% change)
linmin: converged after 6 iterations.
iteration 31: trace = 5.650291044755035 (1.30134e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.650290972006891 (1.28751e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.650290900047981 (1.27354e-06% change)
linmin: converged after 11 iterations.
iteration 34: trace = 5.650290828881055 (1.25953e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.650290758504497 (1.24554e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.650290688913006 (1.23164e-06% change)
linmin: converged after 5 iterations.
iteration 37: trace = 5.650290620098408 (1.21789e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.650290552050093 (1.20433e-06% change)
linmin: converged after 18 iterations.
iteration 39: trace = 5.650290484755575 (1.19099e-06% change)
linmin: converged after 6 iterations.
iteration 40: trace = 5.650290418200888 (1.1779e-06% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.650290352370963 (1.16507e-06% change)
linmin: converged after 9 iterations.
iteration 42: trace = 5.650290287249877 (1.15253e-06% change)
linmin: converged after 13 iterations.
iteration 43: trace = 5.650290222821092 (1.14027e-06% change)
linmin: converged after 4 iterations.
iteration 44: trace = 5.650290159067736 (1.12832e-06% change)
linmin: converged after 8 iterations.
iteration 45: trace = 5.650290095972685 (1.11667e-06% change)
linmin: converged after 8 iterations.
iteration 46: trace = 5.650290033518802 (1.10532e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.650289971688902 (1.09428e-06% change)
linmin: converged after 5 iterations.
iteration 48: trace = 5.650289910466009 (1.08354e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.650289849833287 (1.07309e-06% change)
linmin: converged after 8 iterations.
iteration 50: trace = 5.650289789774213 (1.06294e-06% change)
linmin: converged after 13 iterations.
iteration 51: trace = 5.650289730272561 (1.05307e-06% change)
linmin: converged after 8 iterations.
iteration 52: trace = 5.650289671296088 (1.04378e-06% change)
linmin: converged after 6 iterations.
iteration 53: trace = 5.650289612861914 (1.03418e-06% change)
linmin: converged after 8 iterations.
iteration 54: trace = 5.650289554938581 (1.02514e-06% change)
linmin: converged after 5 iterations.
iteration 55: trace = 5.650289497495159 (1.01665e-06% change)
linmin: converged after 13 iterations.
iteration 56: trace = 5.650289440549649 (1.00783e-06% change)
linmin: converged after 6 iterations.
iteration 57: trace = 5.650289384071982 (9.99554e-07% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.650289328048608 (9.91513e-07% change)
linmin: converged after 11 iterations.
iteration 59: trace = 5.650289272466417 (9.83705e-07% change)
linmin: converged after 7 iterations.
iteration 60: trace = 5.650289217312721 (9.76122e-07% change)
linmin: converged after 8 iterations.
iteration 61: trace = 5.65028916256365 (9.68961e-07% change)
linmin: converged after 13 iterations.
iteration 62: trace = 5.650289108230337 (9.61602e-07% change)
linmin: converged after 5 iterations.
iteration 63: trace = 5.650289054289503 (9.54656e-07% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.650289000730409 (9.479e-07% change)
linmin: converged after 7 iterations.
iteration 65: trace = 5.650288947538981 (9.41393e-07% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.650288894702843 (9.35105e-07% change)
linmin: converged after 11 iterations.
iteration 67: trace = 5.650288842216428 (9.28916e-07% change)
linmin: converged after 5 iterations.
iteration 68: trace = 5.65028879007867 (9.22745e-07% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.650288738271742 (9.1689e-07% change)
resetting CG direction...
large trace change predicted (0.0219511%)
linmin: converged after 4 iterations.
iteration 70: trace = 5.64903032302802 (0.0222742% change)
linmin: converged after 3 iterations.
iteration 71: trace = 5.648291212742171 (0.0130847% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.647952501326173 (0.00599689% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.647729842650739 (0.00394237% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.647486194152222 (0.00431419% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.647157356579553 (0.00582289% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.646835731077392 (0.00569551% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.646550214966825 (0.00505634% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.646220512186881 (0.00583918% change)
large trace change predicted (0.0119209%)
linmin: converged after 4 iterations.
iteration 79: trace = 5.64551507554342 (0.0124947% change)
large trace change predicted (0.0250175%)
linmin: converged after 4 iterations.
iteration 80: trace = 5.644058656681537 (0.0258011% change)
linmin: converged after 7 iterations.
iteration 81: trace = 5.642273131390932 (0.0316405% change)
linmin: converged after 5 iterations.
iteration 82: trace = 5.640697904059197 (0.0279222% change)
linmin: converged after 7 iterations.
iteration 83: trace = 5.63984485797904 (0.0151242% change)
linmin: converged after 4 iterations.
iteration 84: trace = 5.639288313336282 (0.00986857% change)
linmin: converged after 4 iterations.
iteration 85: trace = 5.638902602410139 (0.00683994% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.638726948718296 (0.00311508% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.638638858011665 (0.00156226% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.638595369382163 (0.000771264% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.638570484323941 (0.000441335% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.638555861747498 (0.000259332% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.638546191837316 (0.000171496% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.638539563345949 (0.000117557% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.638535838298758 (6.60641e-05% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.638534036457183 (3.19558e-05% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.638532920712363 (1.97879e-05% change)
linmin: converged after 7 iterations.
iteration 96: trace = 5.638532011416613 (1.61265e-05% change)
linmin: converged after 3 iterations.
iteration 97: trace = 5.638531072732994 (1.66477e-05% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.638530025006578 (1.85816e-05% change)
linmin: converged after 3 iterations.
iteration 99: trace = 5.638528496977349 (2.70998e-05% change)
linmin: converged after 5 iterations.
iteration 100: trace = 5.638526248322741 (3.98802e-05% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.638523965074012 (4.04937e-05% change)
linmin: converged after 5 iterations.
iteration 102: trace = 5.638521697364039 (4.02182e-05% change)
linmin: converged after 13 iterations.
iteration 103: trace = 5.638518648988574 (5.40634e-05% change)
linmin: converged after 10 iterations.
iteration 104: trace = 5.638516668758926 (3.51197e-05% change)
linmin: converged after 3 iterations.
iteration 105: trace = 5.638515788106401 (1.56185e-05% change)
linmin: converged after 3 iterations.
iteration 106: trace = 5.638515475587027 (5.54258e-06% change)
linmin: converged after 5 iterations.
iteration 107: trace = 5.638515353510284 (2.16505e-06% change)
linmin: converged after 12 iterations.
iteration 108: trace = 5.638515290917348 (1.1101e-06% change)
linmin: converged after 2 iterations.
iteration 109: trace = 5.638515251394711 (7.0094e-07% change)
linmin: converged after 17 iterations.
iteration 110: trace = 5.638515230497352 (3.70618e-07% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.638515218975298 (2.04346e-07% change)
linmin: converged after 25 iterations.
iteration 112: trace = 5.638515214529265 (7.88511e-08% change)
linmin: converged after 16 iterations.
iteration 113: trace = 5.638515212755617 (3.1456e-08% change)
linmin: converged after 4 iterations.
iteration 114: trace = 5.638515211745045 (1.79227e-08% change)
linmin: converged after 14 iterations.
iteration 115: trace = 5.638515210945735 (1.41759e-08% change)
linmin: converged after 11 iterations.
iteration 116: trace = 5.638515210024359 (1.63408e-08% change)
linmin: converged after 6 iterations.
iteration 117: trace = 5.638515209011968 (1.79549e-08% change)
linmin: converged after 3 iterations.
iteration 118: trace = 5.638515207794927 (2.15844e-08% change)
linmin: converged after 6 iterations.
iteration 119: trace = 5.638515206516135 (2.26796e-08% change)
linmin: converged after 4 iterations.
iteration 120: trace = 5.638515205038356 (2.62087e-08% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.638515202931114 (3.73723e-08% change)
linmin: converged after 6 iterations.
iteration 122: trace = 5.638515200854903 (3.68219e-08% change)
linmin: converged after 4 iterations.
iteration 123: trace = 5.638515199087083 (3.13526e-08% change)
linmin: converged after 5 iterations.
iteration 124: trace = 5.638515198023093 (1.887e-08% change)
linmin: converged after 4 iterations.
iteration 125: trace = 5.638515197266766 (1.34136e-08% change)
linmin: converged after 20 iterations.
iteration 126: trace = 5.638515196709655 (9.88047e-09% change)
linmin: converged after 5 iterations.
iteration 127: trace = 5.638515196250812 (8.13765e-09% change)
linmin: converged after 15 iterations.
iteration 128: trace = 5.638515195990669 (4.61368e-09% change)
linmin: converged after 7 iterations.
iteration 129: trace = 5.638515195870576 (2.12987e-09% change)
linmin: converged after 9 iterations.
iteration 130: trace = 5.638515195810722 (1.06151e-09% change)
linmin: converged after 8 iterations.
iteration 131: trace = 5.638515195782563 (4.99417e-10% change)
linmin: converged after 18 iterations.
iteration 132: trace = 5.63851519576964 (2.29176e-10% change)
linmin: converged after 3 iterations.
iteration 133: trace = 5.63851519576392 (1.01459e-10% change)
linmin: converged after 4 iterations.
iteration 134: trace = 5.63851519575991 (7.11045e-11% change)
Finished solving for bands 1 to 8 after 134 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586
elapsed time for k point: 0.43625664710998535
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.610243836776812 (0.416683% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.599604920322789 (0.189814% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.596604913833221 (0.0535897% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.595662117729327 (0.0168473% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.595313265090729 (0.00623454% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.595227399874204 (0.0015346% change)
linmin: converged after 14 iterations.
iteration 7: trace = 5.59519831393708 (0.000519836% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.595186325956774 (0.000214255% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.595182011684434 (7.71069e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.595180202268774 (3.23388e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.595179604043117 (1.06918e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.595179391571373 (3.79741e-06% change)
linmin: converged after 6 iterations.
iteration 13: trace = 5.595179311138063 (1.43755e-06% change)
linmin: converged after 8 iterations.
iteration 14: trace = 5.595179285473619 (4.58688e-07% change)
linmin: converged after 24 iterations.
iteration 15: trace = 5.595179276623078 (1.58182e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.595179273689021 (5.2439e-08% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.595179272904638 (1.40189e-08% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.595179272581779 (5.77031e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.595179272336521 (4.38338e-09% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.595179272188361 (2.648e-09% change)
linmin: converged after 12 iterations.
iteration 21: trace = 5.595179272063358 (2.23411e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.595179271964549 (1.76598e-09% change)
linmin: converged after 6 iterations.
iteration 23: trace = 5.595179271878047 (1.546e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.595179271843309 (6.20864e-10% change)
linmin: converged after 12 iterations.
iteration 25: trace = 5.59517927182701 (2.91304e-10% change)
linmin: converged after 18 iterations.
iteration 26: trace = 5.595179271819191 (1.39739e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.595179271816558 (4.70664e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301
elapsed time for k point: 0.08964061737060547
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.589278769396838 (0.288852% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.582217264358345 (0.12642% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.579630100765367 (0.0463573% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.578713954553674 (0.0164208% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.578208746315653 (0.00905641% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.578027303291385 (0.00325276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.577942072907685 (0.00152798% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.577913363825518 (0.000514691% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.577905893250987 (0.000133931% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.577903978777093 (3.43225e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.577903462384925 (9.25782e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.57790335182199 (1.98216e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.577903319845038 (5.73279e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.577903310566395 (1.66346e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.577903307418651 (5.64324e-08% change)
linmin: converged after 20 iterations.
iteration 16: trace = 5.577903305861661 (2.79135e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.577903305185309 (1.21256e-08% change)
linmin: converged after 17 iterations.
iteration 18: trace = 5.577903304857375 (5.87916e-09% change)
linmin: converged after 13 iterations.
iteration 19: trace = 5.57790330471606 (2.53347e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.577903304686394 (5.31865e-10% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.577903304676377 (1.79581e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.577903304673043 (5.97596e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753
elapsed time for k point: 0.07353901863098145
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.607466984195186 (0.245114% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.600508098174442 (0.124177% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.597121607947972 (0.0604858% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.595549314424401 (0.0280951% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.594551452727512 (0.0178347% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.594215569329972 (0.00600394% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.594087068851766 (0.00229705% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.594049548640577 (0.000670714% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.594038609820747 (0.000195544% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.594035067085783 (6.33306e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.594033390558402 (2.99699e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.594032551741144 (1.49949e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.594031999184887 (9.8776e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.594031699982709 (5.3486e-06% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.594031556072584 (2.57257e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.594031485788911 (1.2564e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.594031455144977 (5.47797e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.594031432706867 (4.01108e-07% change)
linmin: converged after 13 iterations.
iteration 19: trace = 5.594031422730698 (1.78336e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.594031418912026 (6.82633e-08% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.59403141767742 (2.20701e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.594031417255707 (7.53863e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.594031417032634 (3.9877e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.594031416919611 (2.02041e-09% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.594031416877138 (7.5925e-10% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.594031416862819 (2.55973e-10% change)
linmin: converged after 7 iterations.
iteration 27: trace = 5.594031416858383 (7.93069e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003
elapsed time for k point: 0.08952188491821289
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.658952488023719 (0.227165% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.651172639068033 (0.137573% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.64697745294418 (0.0742632% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.644684383770696 (0.0406153% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.643239756073964 (0.025596% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.642724507560135 (0.00913078% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.642475213056803 (0.00441808% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.642293858955272 (0.00321414% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.642022882947465 (0.0048027% change)
large trace change predicted (0.0102229%)
linmin: converged after 4 iterations.
iteration 10: trace = 5.641446879082053 (0.0102097% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.640440099441923 (0.0178477% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.639322938644529 (0.0198082% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.638404375778331 (0.0162899% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.637799416718211 (0.0107298% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.637559421782496 (0.00425698% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.63747344756972 (0.00152504% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.637440210805517 (0.00058957% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.637423473771829 (0.000296891% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.637418827785591 (8.24133e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.637417051137828 (3.15153e-05% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.637416175196377 (1.5538e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.637415738685664 (7.7431e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.637415488828052 (4.43213e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.63741535483237 (2.3769e-06% change)
linmin: converged after 15 iterations.
iteration 25: trace = 5.637415263728912 (1.61605e-06% change)
linmin: converged after 35 iterations.
iteration 26: trace = 5.637415208122748 (9.86377e-07% change)
linmin: converged after 24 iterations.
iteration 27: trace = 5.637415147804388 (1.06996e-06% change)
large trace change predicted (2.89728e-06%)
linmin: converged after 5 iterations.
iteration 28: trace = 5.637414984466684 (2.89739e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.637414701464717 (5.02007e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.637414479206141 (3.94256e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.637414382457989 (1.71618e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.637414352167232 (5.37316e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 5.637414342883594 (1.64679e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.637414340072162 (4.98709e-08% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.637414339312542 (1.34746e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 5.63741433891448 (7.06107e-09% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.637414338639296 (4.88139e-09% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.63741433845614 (3.24893e-09% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.637414338381272 (1.32806e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.637414338346884 (6.09989e-10% change)
linmin: converged after 4 iterations.
iteration 41: trace = 5.637414338317711 (5.17491e-10% change)
linmin: converged after 8 iterations.
iteration 42: trace = 5.637414338273104 (7.91267e-10% change)
linmin: converged after 15 iterations.
iteration 43: trace = 5.63741433821137 (1.09509e-09% change)
linmin: converged after 20 iterations.
iteration 44: trace = 5.637414338111031 (1.77987e-09% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.63741433801738 (1.66125e-09% change)
linmin: converged after 4 iterations.
iteration 46: trace = 5.637414337962035 (9.81746e-10% change)
linmin: converged after 8 iterations.
iteration 47: trace = 5.637414337944453 (3.11872e-10% change)
linmin: converged after 13 iterations.
iteration 48: trace = 5.637414337940057 (7.79876e-11% change)
Finished solving for bands 1 to 8 after 48 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742
elapsed time for k point: 0.15813350677490234
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.58845996120054 (1.62524% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.538961403002229 (0.889668% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.527070270349131 (0.214912% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.522342887661988 (0.085568% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.520392483599115 (0.0353247% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.519566528529973 (0.014963% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.519192001279461 (0.00678568% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.519052775913094 (0.0025226% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.518995901845807 (0.00103051% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.518965434921136 (0.000552039% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.518951031752566 (0.000260976% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.518944394189483 (0.000120269% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.518942193535247 (3.98746e-05% change)
linmin: converged after 15 iterations.
iteration 14: trace = 5.518941629485422 (1.02203e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.51894144352032 (3.36958e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.518941398225257 (8.2072e-07% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.518941383071711 (2.74573e-07% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.518941376509176 (1.18909e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.518941374239362 (4.11277e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.518941372978494 (2.28462e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.518941372520785 (8.29343e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.518941372298925 (4.01997e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.51894137216323 (2.45871e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.518941372061886 (1.83629e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.518941371930683 (2.37731e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.518941371759545 (3.10093e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.518941371614912 (2.62066e-09% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.518941371516163 (1.78927e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.518941371440128 (1.37771e-09% change)
linmin: converged after 7 iterations.
iteration 30: trace = 5.518941371369826 (1.27383e-09% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.51894137133035 (7.15282e-10% change)
linmin: converged after 5 iterations.
iteration 32: trace = 5.518941371316815 (2.45262e-10% change)
linmin: converged after 18 iterations.
iteration 33: trace = 5.518941371312549 (7.7296e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679
elapsed time for k point: 0.10902094841003418
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.358965069231854 (0.494938% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.347410133100355 (0.215852% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.344694532958302 (0.0507964% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.343549261595155 (0.0214305% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.342917059986708 (0.0118318% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.342682889492325 (0.00438292% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.34257673377283 (0.00198696% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.34254020353794 (0.000683759% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.342529450593277 (0.00020127% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.342525583052339 (7.23916e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.342524762095747 (1.53665e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.342524528418492 (4.37391e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.34252447592385 (9.82581e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.342524468019509 (1.47951e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.342524466444304 (2.94843e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.342524466019545 (7.95053e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.342524465855403 (3.07236e-09% change)
linmin: converged after 18 iterations.
iteration 18: trace = 5.342524465750503 (1.96349e-09% change)
linmin: converged after 8 iterations.
iteration 19: trace = 5.342524465692871 (1.07874e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.342524465655599 (6.97639e-10% change)
linmin: converged after 13 iterations.
iteration 21: trace = 5.342524465621588 (6.36609e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.342524465595665 (4.85225e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 5.342524465572257 (4.38144e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.342524465547465 (4.64062e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.342524465528069 (3.6305e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.342524465517736 (1.93412e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.342524465514544 (5.97325e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367
elapsed time for k point: 0.08968544006347656
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.205843851365977 (0.260823% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.201250999979981 (0.0882639% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.200149842129167 (0.0211733% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.199802675803611 (0.00667631% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.199636452166119 (0.00319678% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.199588777496309 (0.000916889% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.199568860655153 (0.000383047% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.199559960602095 (0.000171169% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.199557315513331 (5.08714e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.199556443338575 (1.6774e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.199556282069325 (3.1016e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.199556247771246 (6.59635e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.199556240158948 (1.46403e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.199556238716337 (2.77449e-08% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.199556238427382 (5.55729e-09% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.199556238339889 (1.6827e-09% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.199556238303392 (7.01926e-10% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.199556238269373 (6.54268e-10% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.199556238207714 (1.18585e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.199556238136205 (1.37529e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.19955623808818 (9.23648e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.199556238072939 (2.93124e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 5.199556238067979 (9.53848e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636
elapsed time for k point: 0.07655811309814453
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.113888636560835 (0.193819% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.111058653692732 (0.0553545% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.110360041817678 (0.0136696% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.110178387935674 (0.00355468% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.110110328941208 (0.00133184% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.110094373675731 (0.00031223% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.110090048386217 (8.46421e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.110087943959183 (4.11818e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.110087209667761 (1.43694e-05% change)
linmin: converged after 22 iterations.
iteration 10: trace = 5.110086882135968 (6.40951e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.110086801162778 (1.58458e-06% change)
linmin: converged after 12 iterations.
iteration 12: trace = 5.110086778559403 (4.42329e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.110086772372885 (1.21065e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.110086770914102 (2.85471e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.110086770602329 (6.10113e-09% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.110086770517023 (1.66936e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.110086770480933 (7.06255e-10% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.1100867704383 (8.343e-10% change)
large trace change predicted (2.1347e-09%)
linmin: converged after 4 iterations.
iteration 19: trace = 5.110086770329221 (2.13458e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.110086770238314 (1.77897e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.110086770200718 (7.35716e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.110086770192777 (1.55403e-10% change)
linmin: converged after 16 iterations.
iteration 23: trace = 5.110086770190959 (3.55787e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762
elapsed time for k point: 0.07702803611755371
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.08296873445709 (0.170848% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.080632009848869 (0.0459822% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.080034162833817 (0.0117679% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.079889067208426 (0.00285623% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.079840786284366 (0.000950437% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.079830362273212 (0.000205204% change)
linmin: converged after 2 iterations.
iteration 7: trace = 5.079828547056509 (3.57338e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 5.079827969475189 (1.13701e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 5.079827856733455 (2.2194e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.079827805883459 (1.00102e-06% change)
linmin: converged after 6 iterations.
iteration 11: trace = 5.079827785437719 (4.02489e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.0798277757082 (1.91532e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.079827771842986 (7.60895e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.079827770756292 (2.13923e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.07982777053307 (4.39427e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.07982777046622 (1.31598e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.079827770421266 (8.84956e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.079827770346474 (1.47235e-09% change)
large trace change predicted (3.34423e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 5.079827770176589 (3.3443e-09% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.079827770098357 (1.54006e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.079827770077138 (4.17703e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.079827770073004 (8.13725e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801
elapsed time for k point: 0.07357382774353027
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.146430386813067 (0.331875% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.14163854363848 (0.0931534% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.14033682432069 (0.0253204% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.139958644400264 (0.00735737% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.139823079442868 (0.00263751% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.139792533516841 (0.000594301% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.139787176704381 (0.000104222% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.139785473947313 (3.31289e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.139785114467225 (6.99407e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.139784968056226 (2.84858e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.139784924164505 (8.5396e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.139784914516126 (1.8772e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.139784912150693 (4.6022e-08% change)
linmin: converged after 23 iterations.
iteration 14: trace = 5.139784911632526 (1.00815e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.139784911523805 (2.11528e-09% change)
linmin: converged after 10 iterations.
iteration 16: trace = 5.139784911497796 (5.06041e-10% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.139784911491649 (1.19598e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.139784911490271 (2.6802e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708
elapsed time for k point: 0.06056833267211914
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.321113856603153 (0.391941% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.31273543459494 (0.15758% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.309860483627236 (0.054129% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.30865460253759 (0.0227128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.30811010417094 (0.0102573% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.307980354200669 (0.0024444% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.30794615774418 (0.000644248% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.307931944059662 (0.000267782% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.30792741003905 (8.54198e-05% change)
linmin: converged after 7 iterations.
iteration 10: trace = 5.30792522016629 (4.12567e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.30792450832233 (1.3411e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.307924276765975 (4.36247e-06% change)
linmin: converged after 11 iterations.
iteration 13: trace = 5.307924196866908 (1.50528e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.307924180430647 (3.09655e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.307924176022226 (8.30536e-08% change)
linmin: converged after 13 iterations.
iteration 16: trace = 5.307924174763156 (2.37206e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.307924174428118 (6.31203e-09% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.307924174351104 (1.45092e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.307924174333357 (3.3436e-10% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.3079241743296 (7.07641e-11% change)
Finished solving for bands 1 to 8 after 20 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198
elapsed time for k point: 0.06691479682922363
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.565278284532583 (0.649197% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.539308670153495 (0.467728% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.527740928004517 (0.209048% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.52119231461106 (0.118538% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.517705504983867 (0.0631731% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.516689861468588 (0.0184087% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.516225756129595 (0.0084131% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.515968278409327 (0.00466775% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.515821918920194 (0.00265341% change)
linmin: converged after 7 iterations.
iteration 10: trace = 5.515731715125206 (0.00163538% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.515703319343586 (0.000514816% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.515694777907218 (0.000154857% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.51569198306254 (5.06708e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.515691259672617 (1.31151e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.515690942868781 (5.74368e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.51569084558965 (1.76368e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.515690808935376 (6.64545e-07% change)
linmin: converged after 29 iterations.
iteration 18: trace = 5.51569079095453 (3.25994e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.51569078272834 (1.49142e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.515690779523196 (5.81096e-08% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.515690778440378 (1.96316e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.515690778101877 (6.13705e-09% change)
linmin: converged after 20 iterations.
iteration 23: trace = 5.515690777997043 (1.90066e-09% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.51569077796538 (5.74047e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.515690777958354 (1.27389e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.515690777956149 (3.99832e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099
elapsed time for k point: 0.08656930923461914
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.699370390343353 (1.24468% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.647627271005885 (0.912014% change)
linmin: converged after 9 iterations.
iteration 3: trace = 5.63252208373286 (0.267819% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.62552951882026 (0.124223% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.622573009119122 (0.052569% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.621751214744261 (0.0146171% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.621415490821263 (0.00597205% change)
linmin: converged after 9 iterations.
iteration 8: trace = 5.621208187043257 (0.00368782% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.621026602496656 (0.0032304% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.620814125083641 (0.00378012% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.620629887436438 (0.00327783% change)
linmin: converged after 7 iterations.
iteration 12: trace = 5.620459427784636 (0.0030328% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.620367874577292 (0.00162894% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.620331402042908 (0.000648937% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.620316079252684 (0.000272632% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.62031103997582 (8.96618e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.620309265165606 (3.15785e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.620308520932279 (1.32419e-05% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.620308198035805 (5.74517e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.620308061374724 (2.43156e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.620308008166845 (9.46708e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.620307991491019 (2.96707e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.620307984134831 (1.30886e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.620307981734177 (4.27139e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.620307979992978 (3.09805e-08% change)
linmin: converged after 8 iterations.
iteration 26: trace = 5.620307977675802 (4.12286e-08% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.62030797474326 (5.21776e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.620307972553187 (3.89671e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.620307971583566 (1.72521e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.620307971162819 (7.48619e-09% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.6203079709569 (3.66384e-09% change)
linmin: converged after 9 iterations.
iteration 32: trace = 5.620307970850902 (1.88598e-09% change)
linmin: converged after 10 iterations.
iteration 33: trace = 5.620307970806838 (7.84019e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.620307970792952 (2.47064e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.620307970788173 (8.50361e-11% change)
Finished solving for bands 1 to 8 after 35 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332
elapsed time for k point: 0.1152334213256836
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.721397683446691 (0.88116% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.690132175108849 (0.547963% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.679949561600693 (0.179112% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.674005700180744 (0.104701% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.670491569909078 (0.061953% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.668987199256972 (0.0265333% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.668194726503535 (0.0139801% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.667868425634297 (0.00575686% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.667594186191996 (0.00483861% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.667311953686994 (0.00497988% change)
large trace change predicted (0.0130659%)
linmin: converged after 4 iterations.
iteration 11: trace = 5.666577477888356 (0.0129607% change)
large trace change predicted (0.253568%)
linmin: converged after 10 iterations.
iteration 12: trace = 5.662184718098482 (0.0775506% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.659157953576945 (0.0534701% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.656543771166633 (0.0462045% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.653314443339882 (0.0571064% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.648626313306814 (0.0829615% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.643821363234167 (0.0851002% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.638869397509292 (0.0877799% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.635889317433015 (0.0528629% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.63393489491962 (0.0346842% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.632971468037331 (0.0171019% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.632161076469179 (0.0143876% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.63151624016928 (0.0114498% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.630961940296936 (0.0098433% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.630499098024456 (0.00821993% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.630122619588494 (0.00668664% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.629867621832449 (0.00452927% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.629720051203279 (0.00262124% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.62960577704948 (0.00202986% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.629504361168565 (0.00180149% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.629394147451477 (0.00195781% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.629290226392969 (0.00184606% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.629198024981242 (0.0016379% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.629133733956371 (0.00114211% change)
linmin: converged after 3 iterations.
iteration 35: trace = 5.629086222964411 (0.000844023% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.629045867564224 (0.000716911% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.629010408054762 (0.00062994% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.628979004567635 (0.000557888% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.628952468539465 (0.000471419% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.62893221276024 (0.000359851% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.628917703760266 (0.000257758% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.628904770131388 (0.000229771% change)
linmin: converged after 4 iterations.
iteration 43: trace = 5.628894295237322 (0.000186091% change)
linmin: converged after 4 iterations.
iteration 44: trace = 5.628885548975525 (0.000155382% change)
linmin: converged after 4 iterations.
iteration 45: trace = 5.628880125203513 (9.63561e-05% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.628876480395514 (6.47519e-05% change)
linmin: converged after 5 iterations.
iteration 47: trace = 5.62887385527329 (4.66367e-05% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.628871914587953 (3.44773e-05% change)
linmin: converged after 4 iterations.
iteration 49: trace = 5.628870173455476 (3.09322e-05% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.628868872042864 (2.31203e-05% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.628867792579468 (1.91773e-05% change)
linmin: converged after 4 iterations.
iteration 52: trace = 5.628867067350733 (1.28841e-05% change)
linmin: converged after 4 iterations.
iteration 53: trace = 5.628866472394931 (1.05697e-05% change)
linmin: converged after 5 iterations.
iteration 54: trace = 5.62886603893755 (7.70062e-06% change)
linmin: converged after 2 iterations.
iteration 55: trace = 5.62886573363008 (5.42396e-06% change)
linmin: converged after 2 iterations.
iteration 56: trace = 5.628865472838771 (4.63311e-06% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.628865257055425 (3.83351e-06% change)
linmin: converged after 2 iterations.
iteration 58: trace = 5.628865067351745 (3.37019e-06% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.628864923865831 (2.54911e-06% change)
linmin: converged after 7 iterations.
iteration 60: trace = 5.628864787389207 (2.42459e-06% change)
linmin: converged after 4 iterations.
iteration 61: trace = 5.628864676742341 (1.9657e-06% change)
linmin: converged after 2 iterations.
iteration 62: trace = 5.628864577628915 (1.76081e-06% change)
linmin: converged after 2 iterations.
iteration 63: trace = 5.628864491681037 (1.52691e-06% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.62886442356569 (1.21011e-06% change)
linmin: converged after 2 iterations.
iteration 65: trace = 5.628864369045474 (9.68583e-07% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.628864328357649 (7.22843e-07% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.628864294910065 (5.94215e-07% change)
linmin: converged after 2 iterations.
iteration 68: trace = 5.628864268960117 (4.61016e-07% change)
linmin: converged after 4 iterations.
iteration 69: trace = 5.628864245245671 (4.21301e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 5.628864210818001 (6.11627e-07% change)
linmin: converged after 2 iterations.
iteration 71: trace = 5.628864185805083 (4.44369e-07% change)
linmin: converged after 3 iterations.
iteration 72: trace = 5.62886417649749 (1.65355e-07% change)
linmin: converged after 3 iterations.
iteration 73: trace = 5.62886417232996 (7.40386e-08% change)
linmin: converged after 2 iterations.
iteration 74: trace = 5.628864170611668 (3.05264e-08% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.628864170125662 (8.63417e-09% change)
linmin: converged after 2 iterations.
iteration 76: trace = 5.628864169899495 (4.01798e-09% change)
linmin: converged after 2 iterations.
iteration 77: trace = 5.628864169746248 (2.72252e-09% change)
linmin: converged after 5 iterations.
iteration 78: trace = 5.628864169565651 (3.20841e-09% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.628864169372569 (3.43023e-09% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.628864169215252 (2.79482e-09% change)
linmin: converged after 8 iterations.
iteration 81: trace = 5.628864169115525 (1.7717e-09% change)
linmin: converged after 3 iterations.
iteration 82: trace = 5.628864169056971 (1.04025e-09% change)
linmin: converged after 11 iterations.
iteration 83: trace = 5.628864169025799 (5.53796e-10% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.628864169015145 (1.89269e-10% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.628864169011917 (5.73409e-11% change)
Finished solving for bands 2 to 8 after 85 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859
elapsed time for k point: 0.22905993461608887
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554%
Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172%
Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364%
total elapsed time for run: 1.9589552879333496
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013861656188964844
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...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 13.65344660078471 (194.937% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.609537790902672 (83.5167% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.870968737369703 (14.0941% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.592889108403792 (5.87667% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.517375695716687 (1.65777% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.501941736249235 (0.342242% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.497232324294318 (0.104663% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.494705098196539 (0.0562109% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.493491980362646 (0.0269936% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.491945491445946 (0.0344221% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.488917948171112 (0.0674221% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.485988456176244 (0.0652818% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.484190937558812 (0.0400777% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.48386913487522 (0.00717664% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.483819386025643 (0.00110951% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.483805975020271 (0.000299098% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.48380114171588 (0.000107795% change)
linmin: converged after 10 iterations.
iteration 18: trace = 4.483800147423096 (2.21752e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.483799826914352 (7.14815e-06% change)
linmin: converged after 5 iterations.
iteration 20: trace = 4.483799489839024 (7.51763e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.483798967853178 (1.16416e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.483798525218377 (9.87187e-06% change)
linmin: converged after 8 iterations.
iteration 23: trace = 4.483798337445188 (4.18782e-06% change)
linmin: converged after 7 iterations.
iteration 24: trace = 4.483798287890266 (1.1052e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.483798277712628 (2.26987e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.483798275623183 (4.65999e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.483798275083284 (1.20411e-08% change)
linmin: converged after 18 iterations.
iteration 28: trace = 4.483798274909358 (3.879e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.483798274857846 (1.14884e-09% change)
linmin: converged after 10 iterations.
iteration 30: trace = 4.483798274835885 (4.89788e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.4837982747952 (9.07373e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 4.483798274730355 (1.44621e-09% change)
linmin: converged after 6 iterations.
iteration 33: trace = 4.483798274703627 (5.96101e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 4.483798274697107 (1.45415e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 4.48379827469335 (8.37904e-11% change)
Finished solving for bands 2 to 8 after 35 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938
elapsed time for k point: 0.09586620330810547
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.47117509170385 (1.08128% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.432523987969934 (0.868203% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.413416315925295 (0.43201% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.404296019479978 (0.206863% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.401461350048561 (0.0643822% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.399788733721918 (0.0380086% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.398929457669709 (0.0195318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.398458753658963 (0.010701% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.398236171477376 (0.00506059% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.398175740996535 (0.00137398% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.398161708582171 (0.000319051% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.398157649223499 (9.22968e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.398156557280681 (2.48273e-05% change)
linmin: converged after 14 iterations.
iteration 14: trace = 4.398156022880001 (1.21506e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.39815575235398 (6.1509e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.398155622498218 (2.9525e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.398155576367896 (1.04886e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.398155552776307 (5.36397e-07% change)
linmin: converged after 26 iterations.
iteration 19: trace = 4.398155541734073 (2.51065e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.398155536009729 (1.30153e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.398155534105945 (4.3286e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.398155533748286 (8.13204e-09% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.398155533692945 (1.25827e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.398155533670937 (5.00396e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.398155533656857 (3.20121e-10% change)
linmin: converged after 8 iterations.
iteration 26: trace = 4.39815553365001 (1.55698e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.398155533647456 (5.80587e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688
elapsed time for k point: 0.09032177925109863
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.319158064832369 (0.507573% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.315195172035457 (0.0917936% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.314652488861989 (0.0125769% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.314511296930288 (0.00327244% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.314475376819518 (0.000832545% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.314467154448444 (0.000190577% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.314465990301333 (2.69824e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.31446586390868 (2.92951e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.314465856457112 (1.72711e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.31446585576822 (1.5967e-08% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.314465855720847 (1.098e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.314465855716318 (1.04989e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.31446585571558 (1.70864e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882
elapsed time for k point: 0.04444694519042969
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.259813230869057 (0.437307% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.256808525762702 (0.070561% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.256424318461065 (0.00902612% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.256370493922877 (0.00126456% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.256364774302127 (0.000134378% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.256364062218789 (1.67298e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.256363946820415 (2.7112e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.256363898709568 (1.13033e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.256363889801436 (2.0929e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.256363888602306 (2.81727e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.256363888506427 (2.2526e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.256363888498841 (1.78226e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.256363888498332 (1.19568e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589
elapsed time for k point: 0.04432344436645508
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.230445167891604 (0.428208% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.226884659314516 (0.0841994% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.226277772317788 (0.0143588% change)
linmin: converged after 8 iterations.
iteration 4: trace = 4.226142669225807 (0.00319679% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.226108930204354 (0.000798344% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.226098815419109 (0.000239341% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.226095681906936 (7.41467e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.226095353849791 (7.76265e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.226095326529167 (6.46474e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.226095324571847 (4.63151e-08% change)
linmin: converged after 6 iterations.
iteration 11: trace = 4.226095324437822 (3.17135e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.226095324430023 (1.84546e-10% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.226095324429568 (1.07605e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874
elapsed time for k point: 0.04431414604187012
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.224590436596976 (0.46166% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.219402634957612 (0.122876% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.218303323951641 (0.0260571% change)
linmin: converged after 10 iterations.
iteration 4: trace = 4.217912996839637 (0.00925361% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.217806962656632 (0.00251393% change)
linmin: converged after 9 iterations.
iteration 6: trace = 4.217779234764804 (0.000657403% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.217772706280908 (0.000154785% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.217772221251987 (1.14996e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.217772182111439 (9.27991e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.217772179564777 (6.03793e-08% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.217772179377826 (4.43248e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.217772179362668 (3.59376e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.217772179355181 (1.77498e-10% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.217772179352377 (6.65012e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408
elapsed time for k point: 0.04788947105407715
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.216167442451164 (0.906425% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.207075518579895 (0.215877% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.205560118729062 (0.0360268% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.20543792525936 (0.00290556% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.205424978514317 (0.000307858% change)
linmin: converged after 29 iterations.
iteration 6: trace = 4.205423872193348 (2.6307e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.205423830220985 (9.98053e-07% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.205423828175205 (4.86462e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.205423828042199 (3.16274e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.205423828029007 (3.13693e-10% change)
linmin: converged after 6 iterations.
iteration 11: trace = 4.205423828027399 (3.82269e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917
elapsed time for k point: 0.038079023361206055
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.188511643576091 (0.767217% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.183271740703043 (0.12518% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.182635593295243 (0.0152081% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.182595255887836 (0.000964406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.182592616911325 (6.30943e-05% change)
linmin: converged after 33 iterations.
iteration 6: trace = 4.182592321790135 (7.05594e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.182592286855638 (8.35236e-07% change)
linmin: converged after 19 iterations.
iteration 8: trace = 4.182592281925398 (1.17875e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.182592281109054 (1.95177e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.182592281032474 (1.83091e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.182592281023937 (2.04112e-10% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.182592281022643 (3.09396e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092
elapsed time for k point: 0.04150652885437012
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.172248021921067 (0.635399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168646425845074 (0.0863599% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.16797869350233 (0.0160192% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.167833298187497 (0.00348845% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.167813086647444 (0.000484942% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.167811349625674 (4.16771e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.167811247608131 (2.44775e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.167811240546714 (1.69427e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.167811239437253 (2.66198e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.167811239290017 (3.53269e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.167811239280089 (2.38187e-10% change)
linmin: converged after 8 iterations.
iteration 12: trace = 4.167811239279438 (1.56419e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108
elapsed time for k point: 0.04119539260864258
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.175020794659225 (0.559983% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.171453968416325 (0.085469% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.169838633398401 (0.038731% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.169126573577484 (0.0170779% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.169030186733768 (0.00231195% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.16902380410991 (0.000153096% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.169023362478125 (1.05932e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.169023324272549 (9.16416e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.169023320812347 (8.29979e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.169023319376684 (3.44364e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.169023318807238 (1.3659e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.169023318685015 (2.93168e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.169023318668819 (3.88483e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.169023318668043 (1.86199e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581
elapsed time for k point: 0.04776597023010254
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.196748230141918 (0.499327% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.191391085979967 (0.127731% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.184065231778533 (0.174936% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.179418151111563 (0.111128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.178708162121 (0.0169892% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.178675276778256 (0.000786977% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.178673354488494 (4.60024e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.178673127808471 (5.42469e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.178673067930245 (1.43295e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.178672983680849 (2.01618e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.178672966328831 (4.15252e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.178672965170099 (2.77297e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.178672965096586 (1.75924e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.178672965089365 (1.72803e-10% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.178672965088623 (1.77692e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993
elapsed time for k point: 0.051058053970336914
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.215590647524031 (1.05654% change)
linmin: converged after 10 iterations.
iteration 2: trace = 4.183207287460688 (0.771143% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.156607860607693 (0.63789% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.145125801931357 (0.276618% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.141661343321531 (0.083614% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.141092875796296 (0.0137265% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.141018445194859 (0.00179738% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.141013513514405 (0.000119093% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.141012954787888 (1.34925e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.141012717733229 (5.72456e-06% change)
linmin: converged after 11 iterations.
iteration 11: trace = 4.141012607970374 (2.65063e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.141012579996667 (6.75528e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.141012578178469 (4.39071e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.141012578052824 (3.03415e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.141012578041202 (2.80652e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.141012578036988 (1.01772e-10% change)
linmin: converged after 8 iterations.
iteration 17: trace = 4.14101257803556 (3.44889e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347
elapsed time for k point: 0.057220458984375
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.147564043481693 (0.875199% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.142071403504552 (0.132518% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.141407784545613 (0.0160227% change)
linmin: converged after 14 iterations.
iteration 4: trace = 4.141348425305269 (0.00143332% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.141332888571218 (0.000375162% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.141330631750844 (5.4495e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.141330428051608 (4.91869e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.141330407855833 (4.87664e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.141330405897514 (4.72872e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.141330405721697 (4.24542e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.141330405701249 (4.93767e-10% change)
linmin: converged after 7 iterations.
iteration 12: trace = 4.14133040570003 (2.94249e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595
elapsed time for k point: 0.041141510009765625
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.219183998789268 (0.838948% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.214112239631161 (0.120279% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.213587255840629 (0.0124585% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.213533983072801 (0.00126432% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.213522375060026 (0.000275494% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.213521453044298 (2.18823e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.21352138376677 (1.64417e-06% change)
linmin: converged after 29 iterations.
iteration 8: trace = 4.213521376642288 (1.69086e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.213521376039916 (1.42962e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.213521375952428 (2.07635e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.213521375942169 (2.43486e-10% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.213521375941404 (1.81492e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925
elapsed time for k point: 0.041489362716674805
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.354935285252275 (0.903179% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.347005534771354 (0.182252% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.345758802079407 (0.0286844% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.345492824185595 (0.00612059% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.345439182323275 (0.00123443% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.345428859007479 (0.000237567% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.345426500208693 (5.42823e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.345426131439357 (8.48638e-06% change)
linmin: converged after 17 iterations.
iteration 9: trace = 4.345426090356747 (9.45422e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.345426086357088 (9.2043e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.34542608605445 (6.96454e-09% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.345426086022092 (7.44627e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.345426086018986 (7.1497e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526
elapsed time for k point: 0.044411420822143555
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.518149969222198 (1.13355% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.499734133170298 (0.408429% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.495250492449571 (0.099692% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.493713193153424 (0.0342041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.492592218712791 (0.0249485% change)
large trace change predicted (0.050791%)
linmin: converged after 4 iterations.
iteration 6: trace = 4.490355890858018 (0.0497905% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.487337847436465 (0.0672343% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.485431457992108 (0.0424928% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.484262744539711 (0.0260592% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.483883370910918 (0.00846047% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.483810183156654 (0.00163225% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.483801839966898 (0.000186074% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.483800541625655 (2.89563e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.48380018565615 (7.93901e-06% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.483799885096502 (6.70323e-06% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.483799578938856 (6.82808e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.483799309165798 (6.01662e-06% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.483798916289055 (8.76214e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.483798783128174 (2.96982e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.483798762624252 (4.57289e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.483798756127834 (1.44886e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.483798754611385 (3.38206e-08% change)
linmin: converged after 15 iterations.
iteration 23: trace = 4.483798754481978 (2.88612e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.483798754451529 (6.79079e-10% change)
linmin: converged after 11 iterations.
iteration 25: trace = 4.483798754422116 (6.55982e-10% change)
linmin: converged after 8 iterations.
iteration 26: trace = 4.483798754387671 (7.68218e-10% change)
linmin: converged after 2 iterations.
iteration 27: trace = 4.483798754356928 (6.85636e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.483798754303908 (1.1825e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.48379875427857 (5.6508e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 4.483798754271722 (1.52744e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.483798754265766 (1.32817e-10% change)
large trace change predicted (4.8196e-10%)
linmin: converged after 6 iterations.
iteration 32: trace = 4.483798754244152 (4.82062e-10% change)
large trace change predicted (2.6894e-09%)
linmin: converged after 2 iterations.
iteration 33: trace = 4.483798754123567 (2.68934e-09% change)
large trace change predicted (9.03518e-09%)
linmin: converged after 5 iterations.
iteration 34: trace = 4.483798753718449 (9.03516e-09% change)
large trace change predicted (3.80042e-08%)
linmin: converged after 3 iterations.
iteration 35: trace = 4.483798752014425 (3.8004e-08% change)
large trace change predicted (1.44447e-07%)
linmin: converged after 5 iterations.
iteration 36: trace = 4.483798745538273 (1.44434e-07% change)
large trace change predicted (4.63378e-07%)
linmin: converged after 6 iterations.
iteration 37: trace = 4.48379872477563 (4.63059e-07% change)
linmin: converged after 5 iterations.
iteration 38: trace = 4.483798696719777 (6.25716e-07% change)
linmin: converged after 14 iterations.
iteration 39: trace = 4.483798668072068 (6.38916e-07% change)
linmin: converged after 7 iterations.
iteration 40: trace = 4.483798643130926 (5.5625e-07% change)
linmin: converged after 6 iterations.
iteration 41: trace = 4.483798621858712 (4.74424e-07% change)
large trace change predicted (1.35926e-06%)
linmin: converged after 12 iterations.
iteration 42: trace = 4.483798561180511 (1.35328e-06% change)
large trace change predicted (5.83318e-06%)
linmin: converged after 6 iterations.
iteration 43: trace = 4.483798313956219 (5.51372e-06% change)
linmin: converged after 7 iterations.
iteration 44: trace = 4.483798101265305 (4.74354e-06% change)
linmin: converged after 9 iterations.
iteration 45: trace = 4.483798058281495 (9.58647e-07% change)
linmin: converged after 7 iterations.
iteration 46: trace = 4.483798047911615 (2.31274e-07% change)
linmin: converged after 10 iterations.
iteration 47: trace = 4.483798039715489 (1.82794e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 4.483798036699957 (6.7254e-08% change)
linmin: converged after 6 iterations.
iteration 49: trace = 4.483798033244328 (7.70692e-08% change)
linmin: converged after 11 iterations.
iteration 50: trace = 4.483798027631948 (1.2517e-07% change)
linmin: converged after 6 iterations.
iteration 51: trace = 4.483798025313344 (5.17107e-08% change)
linmin: converged after 7 iterations.
iteration 52: trace = 4.483798024489732 (1.83686e-08% change)
linmin: converged after 13 iterations.
iteration 53: trace = 4.483798024240048 (5.56858e-09% change)
linmin: converged after 2 iterations.
iteration 54: trace = 4.483798024202118 (8.45947e-10% change)
linmin: converged after 4 iterations.
iteration 55: trace = 4.483798024192735 (2.09258e-10% change)
linmin: converged after 18 iterations.
iteration 56: trace = 4.483798024185385 (1.63916e-10% change)
large trace change predicted (3.44338e-10%)
linmin: converged after 7 iterations.
iteration 57: trace = 4.483798024169943 (3.44412e-10% change)
linmin: converged after 3 iterations.
iteration 58: trace = 4.483798024159209 (2.39387e-10% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.48379802415644 (6.17633e-11% change)
Finished solving for bands 2 to 8 after 59 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938
.elapsed time for k point: 0.15972304344177246
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0>
Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772%
Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472%
total elapsed time for run: 0.933302640914917
done
/tmp/meepg15Lzl/test_sq_rods-0: 2.89s
/tmp/meepg15Lzl/test_strip-0
========================
Initializing eigensolver data
Computing 4 bands with 1e-12 tolerance
Working in 3 dimensions.
Grid size is 1 x 64 x 64.
Solving for 4 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 2, 0)
(0, 0, 2)
Cell volume = 4
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 0.5, -0)
(0, -0, 0.5)
Geometric objects:
block, center = (0,0,0.5625)
size (1e+20,1e+20,0.875)
axes (1,0,0), (0,1,0), (0,0,1)
block, center = (0,0,0)
size (1e+20,0.3,0.25)
axes (1,0,0), (0,1,0), (0,0,1)
Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: .
Initializing fields to random numbers...
11 k-points
Vector3<0.1, 0.0, 0.0>
Vector3<0.39, 0.0, 0.0>
Vector3<0.6799999999999999, 0.0, 0.0>
Vector3<0.9699999999999999, 0.0, 0.0>
Vector3<1.26, 0.0, 0.0>
Vector3<1.55, 0.0, 0.0>
Vector3<1.8399999999999999, 0.0, 0.0>
Vector3<2.13, 0.0, 0.0>
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: 0.0041582584381103516
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...
near maximum in trace
linmin: converged after 15 iterations.
iteration 1: trace = 0.9888324390218044 (199.208% change)
linmin: converged after 8 iterations.
iteration 2: trace = 0.3275386403031393 (100.472% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.2964736897935054 (9.95652% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.2766924976907892 (6.90243% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.2726168891851928 (1.4839% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2709568969210187 (0.61077% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.270421571645273 (0.197764% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2698420362472927 (0.214538% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2692566677135553 (0.217166% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.2688723160972978 (0.142847% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.2687479778755979 (0.046255% change)
linmin: converged after 7 iterations.
iteration 12: trace = 0.2687078756607025 (0.014923% change)
linmin: converged after 13 iterations.
iteration 13: trace = 0.2686863756597033 (0.00800157% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.2686684185723042 (0.00668351% change)
linmin: converged after 6 iterations.
iteration 15: trace = 0.2686570148093189 (0.00424464% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.2686528052174897 (0.00156691% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.268650950503293 (0.000690378% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.2686504308755131 (0.000193421% change)
linmin: converged after 5 iterations.
iteration 19: trace = 0.2686501381174944 (0.000108974% change)
linmin: converged after 5 iterations.
iteration 20: trace = 0.2686498488710397 (0.000107667% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.2686495704062641 (0.000103653% change)
linmin: converged after 6 iterations.
iteration 22: trace = 0.2686494341955125 (5.0702e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.2686493830083235 (1.90535e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.2686493569010618 (9.71797e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.2686493401671162 (6.22892e-06% change)
linmin: converged after 15 iterations.
iteration 26: trace = 0.2686493260250872 (5.26412e-06% change)
linmin: converged after 12 iterations.
iteration 27: trace = 0.2686493177549078 (3.07843e-06% change)
linmin: converged after 9 iterations.
iteration 28: trace = 0.2686493141307413 (1.34903e-06% change)
linmin: converged after 15 iterations.
iteration 29: trace = 0.2686493133317409 (2.97414e-07% change)
linmin: converged after 7 iterations.
iteration 30: trace = 0.2686493131406225 (7.11405e-08% change)
linmin: converged after 9 iterations.
iteration 31: trace = 0.2686493130940624 (1.73312e-08% change)
linmin: converged after 6 iterations.
iteration 32: trace = 0.268649313082798 (4.19299e-09% change)
linmin: converged after 5 iterations.
iteration 33: trace = 0.2686493130763812 (2.38853e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.2686493130708934 (2.04275e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 0.2686493130667944 (1.52578e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.2686493130651829 (5.99848e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.2686493130645911 (2.20289e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.2686493130640042 (2.1847e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.2686493130635511 (1.68673e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 0.2686493130631626 (1.44579e-10% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.2686493130629992 (6.0832e-11% change)
Finished solving for bands 1 to 4 after 41 iterations.
freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675
elapsed time for k point: 0.2500956058502197
zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236
yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298
solve_kpoint (0.39,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 0.6221572131381576 (6.85988% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.6115306387019994 (1.72273% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.6092236100640738 (0.377968% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.6078935744602465 (0.218555% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.6073391521679113 (0.0912455% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.6070826550178682 (0.0422419% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.6070081174319568 (0.0122788% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.6069403390784771 (0.0111666% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.6069054512212717 (0.00574832% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.6068924091656944 (0.00214897% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.6068870095060079 (0.000889727% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.6068853033452281 (0.000281134% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.6068844690828896 (0.000137466% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.6068841755207711 (4.8372e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.6068840418585739 (2.20243e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.6068839789046552 (1.03733e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.6068839547900675 (3.97351e-06% change)
linmin: converged after 15 iterations.
iteration 18: trace = 0.6068839452457329 (1.57268e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.6068839423137347 (4.83123e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.6068839407794916 (2.52807e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.6068839400027517 (1.27988e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.6068839396340783 (6.07486e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.6068839395282147 (1.74438e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.6068839394969752 (5.14754e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.6068839394888997 (1.33064e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 0.6068839394859056 (4.93366e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 0.6068839394838392 (3.40485e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.6068839394826193 (2.01013e-10% change)
linmin: converged after 8 iterations.
iteration 29: trace = 0.6068839394820106 (1.00305e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.6068839394817216 (4.76188e-11% change)
Finished solving for bands 1 to 4 after 30 iterations.
freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163
elapsed time for k point: 0.1849842071533203
zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679
yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711
solve_kpoint (0.68,0,0):
Solving for bands 1 to 4...
linmin: converged after 6 iterations.
iteration 1: trace = 1.264470565181613 (5.39004% change)
linmin: converged after 6 iterations.
iteration 2: trace = 1.235883601229645 (2.28663% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.224582577450968 (0.918608% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.218161286419984 (0.525744% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.214962361809651 (0.262948% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.212817357015784 (0.176705% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.211094436566093 (0.14216% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.209359468510491 (0.143359% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.208547294324885 (0.0671799% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.208042238043626 (0.0417991% change)
linmin: converged after 3 iterations.
iteration 11: trace = 1.207823296097657 (0.0181253% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.207749466955793 (0.00611276% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.207719818833629 (0.00245485% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.207710829504941 (0.000744325% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.207706751669003 (0.000337651% change)
linmin: converged after 6 iterations.
iteration 16: trace = 1.207705249394497 (0.000124391% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.207704786572437 (3.83224e-05% change)
linmin: converged after 15 iterations.
iteration 18: trace = 1.207704628833395 (1.30611e-05% change)
linmin: converged after 17 iterations.
iteration 19: trace = 1.207704566628019 (5.15071e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.207704535783024 (2.55402e-06% change)
linmin: converged after 9 iterations.
iteration 21: trace = 1.207704518965968 (1.39248e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.207704506350417 (1.04459e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.207704497493669 (7.33354e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.20770449198717 (4.55948e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.207704488731007 (2.69616e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.207704487630344 (9.11368e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.207704487187936 (3.66322e-08% change)
linmin: converged after 19 iterations.
iteration 28: trace = 1.207704487019392 (1.39558e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.207704486953282 (5.474e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 1.207704486927158 (2.16307e-09% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.207704486920011 (5.91798e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.207704486917498 (2.08052e-10% change)
linmin: converged after 7 iterations.
iteration 33: trace = 1.207704486916823 (5.59108e-11% change)
Finished solving for bands 1 to 4 after 33 iterations.
freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058
elapsed time for k point: 0.20388221740722656
zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994
yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347
solve_kpoint (0.97,0,0):
Solving for bands 1 to 4...
linmin: converged after 6 iterations.
iteration 1: trace = 1.937534840468752 (4.15315% change)
linmin: converged after 6 iterations.
iteration 2: trace = 1.902810987183435 (1.80837% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.89274028835154 (0.530658% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.888078677878067 (0.246593% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.885790637832564 (0.121257% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.884495797860613 (0.0686866% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.883742431334522 (0.0399851% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.883417285430755 (0.0172621% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.883289886588927 (0.00676447% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.883239300159769 (0.0026861% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.883213276357905 (0.00138187% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.883202552103174 (0.000569467% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.883195968261392 (0.000349609% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.883193887272418 (0.000110503% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.883193169554699 (3.81117e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.883192877574137 (1.55045e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 1.88319279458978 (4.40658e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.883192759151877 (1.8818e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 1.883192748042752 (5.89909e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 1.883192744742938 (1.75224e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.883192743542448 (6.37476e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.883192743093157 (2.38579e-08% change)
linmin: converged after 11 iterations.
iteration 23: trace = 1.883192742911179 (9.66329e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.883192742851265 (3.18149e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.883192742827555 (1.25902e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 1.883192742817964 (5.09294e-10% change)
linmin: converged after 9 iterations.
iteration 27: trace = 1.883192742814812 (1.67383e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.883192742813691 (5.95203e-11% change)
Finished solving for bands 1 to 4 after 28 iterations.
freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057
elapsed time for k point: 0.17328834533691406
zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577
yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964
solve_kpoint (1.26,0,0):
Solving for bands 1 to 4...
linmin: converged after 7 iterations.
iteration 1: trace = 2.691331240743783 (1.92976% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.671295720214913 (0.747228% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.664766792343676 (0.24471% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.656412156555789 (0.314014% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.640040929367222 (0.618196% change)
linmin: converged after 7 iterations.
iteration 6: trace = 2.625855470542893 (0.538767% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.61859509533755 (0.276878% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.614863948572113 (0.142588% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.611559983025121 (0.126433% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.608574632724415 (0.114378% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.606864668769023 (0.0655732% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.605988524621448 (0.0336148% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.605290071043019 (0.0268055% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.604861354163475 (0.016457% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.604545510497537 (0.0121259% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.604368153526517 (0.00680975% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.604272749286691 (0.00366331% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.604204130108292 (0.0026349% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.604166865970903 (0.00143093% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.604146033707185 (0.000799962% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.604132293019618 (0.000527648% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.604120260624077 (0.000462051% change)
linmin: converged after 3 iterations.
iteration 23: trace = 2.604114500336466 (0.000221199% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.604111450417451 (0.000117119% change)
linmin: converged after 5 iterations.
iteration 25: trace = 2.604109427544265 (7.768e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 2.604108092320861 (5.12737e-05% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.604107084206233 (3.87125e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.60410665152511 (1.66153e-05% change)
linmin: converged after 2 iterations.
iteration 29: trace = 2.604106383464846 (1.02938e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 2.604106241639464 (5.44622e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 2.604106139753172 (3.91252e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 2.60410607419584 (2.51746e-06% change)
linmin: converged after 12 iterations.
iteration 33: trace = 2.604106025604114 (1.86597e-06% change)
linmin: converged after 12 iterations.
iteration 34: trace = 2.604105990411492 (1.35143e-06% change)
linmin: converged after 25 iterations.
iteration 35: trace = 2.60410597070486 (7.56752e-07% change)
linmin: converged after 3 iterations.
iteration 36: trace = 2.604105962023718 (3.33364e-07% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.604105957861818 (1.59821e-07% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.604105955505369 (9.04897e-08% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.604105953483433 (7.76441e-08% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.604105952144455 (5.1418e-08% change)
linmin: converged after 2 iterations.
iteration 41: trace = 2.604105951136531 (3.87052e-08% change)
linmin: converged after 4 iterations.
iteration 42: trace = 2.604105950573186 (2.16329e-08% change)
linmin: converged after 2 iterations.
iteration 43: trace = 2.604105950242608 (1.26945e-08% change)
linmin: converged after 2 iterations.
iteration 44: trace = 2.604105950072068 (6.54891e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.604105949971554 (3.8598e-09% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.604105949909474 (2.38395e-09% change)
linmin: converged after 11 iterations.
iteration 47: trace = 2.604105949872306 (1.42729e-09% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.60410594984933 (8.8231e-10% change)
linmin: converged after 5 iterations.
iteration 49: trace = 2.604105949833435 (6.10376e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.604105949821812 (4.46322e-10% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.604105949814575 (2.7792e-10% change)
linmin: converged after 13 iterations.
iteration 52: trace = 2.604105949811262 (1.27201e-10% change)
linmin: converged after 5 iterations.
iteration 53: trace = 2.604105949809357 (7.31762e-11% change)
Finished solving for bands 1 to 4 after 53 iterations.
freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146
elapsed time for k point: 0.3239586353302002
zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938
yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875
solve_kpoint (1.55,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 3.266395069778824 (2.05094% change)
linmin: converged after 5 iterations.
iteration 2: trace = 3.232377355632402 (1.0469% change)
linmin: converged after 5 iterations.
iteration 3: trace = 3.204495549827901 (0.866315% change)
linmin: converged after 4 iterations.
iteration 4: trace = 3.187386698865646 (0.535331% change)
linmin: converged after 4 iterations.
iteration 5: trace = 3.178841158371629 (0.268465% change)
linmin: converged after 4 iterations.
iteration 6: trace = 3.174359784711398 (0.141075% change)
linmin: converged after 4 iterations.
iteration 7: trace = 3.172271429703166 (0.0658099% change)
linmin: converged after 4 iterations.
iteration 8: trace = 3.171344966966339 (0.0292093% change)
linmin: converged after 4 iterations.
iteration 9: trace = 3.171078223607465 (0.0084114% change)
linmin: converged after 3 iterations.
iteration 10: trace = 3.171008879397923 (0.00218679% change)
linmin: converged after 4 iterations.
iteration 11: trace = 3.170984754524611 (0.000760798% change)
linmin: converged after 4 iterations.
iteration 12: trace = 3.17097706778243 (0.000242409% change)
linmin: converged after 5 iterations.
iteration 13: trace = 3.170972828710284 (0.000133684% change)
linmin: converged after 5 iterations.
iteration 14: trace = 3.170971244290354 (4.99664e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 3.170970553226561 (2.17934e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 3.170970265011881 (9.08916e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 3.170970164109814 (3.18206e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 3.170970121317302 (1.34951e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 3.170970104220375 (5.3917e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 3.170970094225221 (3.15208e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 3.170970088061014 (1.94395e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 3.170970085145856 (9.19327e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 3.170970083948772 (3.77514e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 3.17097008353335 (1.31008e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 3.170970083397891 (4.27185e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 3.170970083352964 (1.41681e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 3.170970083335021 (5.65851e-10% change)
linmin: converged after 8 iterations.
iteration 28: trace = 3.170970083326956 (2.54356e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 3.170970083323871 (9.72916e-11% change)
Finished solving for bands 1 to 4 after 29 iterations.
freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502
elapsed time for k point: 0.18056249618530273
zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198
yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565
solve_kpoint (1.84,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 3.70542176664522 (1.60572% change)
linmin: converged after 5 iterations.
iteration 2: trace = 3.680251297975054 (0.681603% change)
linmin: converged after 5 iterations.
iteration 3: trace = 3.671551008005009 (0.236685% change)
linmin: converged after 4 iterations.
iteration 4: trace = 3.667866331047656 (0.100408% change)
linmin: converged after 4 iterations.
iteration 5: trace = 3.666884708312741 (0.0267664% change)
linmin: converged after 4 iterations.
iteration 6: trace = 3.666380816936595 (0.0137426% change)
linmin: converged after 4 iterations.
iteration 7: trace = 3.666217749636358 (0.00444774% change)
linmin: converged after 3 iterations.
iteration 8: trace = 3.6661505829781 (0.00183206% change)
linmin: converged after 5 iterations.
iteration 9: trace = 3.666126412642431 (0.000659286% change)
linmin: converged after 4 iterations.
iteration 10: trace = 3.666119045925824 (0.00020094% change)
linmin: converged after 5 iterations.
iteration 11: trace = 3.66611614266722 (7.91916e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 3.666115478266013 (1.81228e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 3.666115258037461 (6.00714e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 3.666115190515089 (1.8418e-06% change)
linmin: converged after 7 iterations.
iteration 15: trace = 3.666115174200297 (4.45016e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 3.666115169279947 (1.34212e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 3.666115167850354 (3.89947e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 3.666115167237352 (1.67208e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 3.666115166888864 (9.50563e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 3.666115166571151 (8.6662e-09% change)
large trace change predicted (1.8721e-08%)
linmin: converged after 5 iterations.
iteration 21: trace = 3.666115165884806 (1.87213e-08% change)
large trace change predicted (4.39604e-08%)
linmin: converged after 3 iterations.
iteration 22: trace = 3.666115164273169 (4.39604e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 3.666115161714989 (6.9779e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 3.666115159305658 (6.57189e-08% change)
linmin: converged after 22 iterations.
iteration 25: trace = 3.666115157581601 (4.70268e-08% change)
linmin: converged after 28 iterations.
iteration 26: trace = 3.666115156371115 (3.30182e-08% change)
linmin: converged after 17 iterations.
iteration 27: trace = 3.666115155743585 (1.7117e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 3.666115155488845 (6.94848e-09% change)
linmin: converged after 9 iterations.
iteration 29: trace = 3.66611515541628 (1.97934e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 3.666115155394754 (5.87182e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 3.666115155388817 (1.61931e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 3.666115155387485 (3.63279e-11% change)
Finished solving for bands 1 to 4 after 32 iterations.
freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995
elapsed time for k point: 0.1981034278869629
zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069
yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799
solve_kpoint (2.13,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
iteration 1: trace = 4.179248358289504 (0.910349% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.167780338437884 (0.274781% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.165776414135161 (0.0480929% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16489707270989 (0.0211109% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.164637936358549 (0.00622211% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.164446201568919 (0.00460398% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.164369177258053 (0.00184959% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.164344541357718 (0.00059159% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.1643375227512 (0.000168541% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.1643358438107 (4.03171e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.164335332889637 (1.2269e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.16433523099087 (2.44694e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.164335202539397 (6.83218e-07% change)
linmin: converged after 13 iterations.
iteration 14: trace = 4.1643351877567 (3.54983e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.164335171932876 (3.79984e-07% change)
large trace change predicted (1.02272e-06%)
linmin: converged after 3 iterations.
iteration 16: trace = 4.1643351293438 (1.02271e-06% change)
large trace change predicted (8.89361e-06%)
linmin: converged after 8 iterations.
iteration 17: trace = 4.164334759043552 (8.89218e-06% change)
near maximum in trace
linmin: converged after 12 iterations.
iteration 18: trace = 4.16316758638906 (0.0280318% change)
linmin: converged after 9 iterations.
iteration 19: trace = 4.163166876293172 (1.70566e-05% change)
linmin: converged after 7 iterations.
iteration 20: trace = 4.163166163752942 (1.71153e-05% change)
linmin: converged after 8 iterations.
iteration 21: trace = 4.163165449011131 (1.71682e-05% change)
linmin: converged after 5 iterations.
iteration 22: trace = 4.16316473228248 (1.7216e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.163164013755316 (1.72592e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.163163293593025 (1.72984e-05% change)
linmin: converged after 9 iterations.
iteration 25: trace = 4.163162571935903 (1.73343e-05% change)
linmin: converged after 7 iterations.
iteration 26: trace = 4.163161848902639 (1.73674e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.163161124591937 (1.73981e-05% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.163160399084225 (1.74268e-05% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.163159672443065 (1.74541e-05% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.163158944716526 (1.74802e-05% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.163158215938651 (1.75054e-05% change)
linmin: converged after 5 iterations.
iteration 32: trace = 4.163157486130701 (1.75302e-05% change)
linmin: converged after 12 iterations.
iteration 33: trace = 4.163156755302264 (1.75547e-05% change)
linmin: converged after 21 iterations.
iteration 34: trace = 4.163156023429362 (1.75798e-05% change)
linmin: converged after 12 iterations.
iteration 35: trace = 4.163155290546891 (1.7604e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 4.163154556597316 (1.76296e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 4.163153821571862 (1.76555e-05% change)
linmin: converged after 9 iterations.
iteration 38: trace = 4.163153085450248 (1.76818e-05% change)
linmin: converged after 8 iterations.
iteration 39: trace = 4.163152348177279 (1.77095e-05% change)
linmin: converged after 6 iterations.
iteration 40: trace = 4.163151609704363 (1.77383e-05% change)
linmin: converged after 6 iterations.
iteration 41: trace = 4.163150869986995 (1.77682e-05% change)
linmin: converged after 6 iterations.
iteration 42: trace = 4.163150128967145 (1.77995e-05% change)
linmin: converged after 5 iterations.
iteration 43: trace = 4.163149386585701 (1.78322e-05% change)
linmin: converged after 9 iterations.
iteration 44: trace = 4.163148642780136 (1.78664e-05% change)
linmin: converged after 10 iterations.
iteration 45: trace = 4.163147897482164 (1.79023e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 4.16314715062773 (1.79397e-05% change)
linmin: converged after 12 iterations.
iteration 47: trace = 4.163146402144422 (1.79788e-05% change)
linmin: converged after 6 iterations.
iteration 48: trace = 4.163145651958501 (1.80197e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 4.163144899994773 (1.80624e-05% change)
linmin: converged after 8 iterations.
iteration 50: trace = 4.163144146176415 (1.81069e-05% change)
linmin: converged after 10 iterations.
iteration 51: trace = 4.163143390425138 (1.81534e-05% change)
linmin: converged after 8 iterations.
iteration 52: trace = 4.163142632661325 (1.82017e-05% change)
linmin: converged after 5 iterations.
iteration 53: trace = 4.163141872804288 (1.8252e-05% change)
linmin: converged after 5 iterations.
iteration 54: trace = 4.16314111077236 (1.83043e-05% change)
linmin: converged after 9 iterations.
iteration 55: trace = 4.163140346483049 (1.83585e-05% change)
linmin: converged after 12 iterations.
iteration 56: trace = 4.163139579853148 (1.84147e-05% change)
linmin: converged after 6 iterations.
iteration 57: trace = 4.163138810798954 (1.84729e-05% change)
linmin: converged after 5 iterations.
iteration 58: trace = 4.163138039236278 (1.85332e-05% change)
linmin: converged after 8 iterations.
iteration 59: trace = 4.163137265080522 (1.85955e-05% change)
linmin: converged after 15 iterations.
iteration 60: trace = 4.163136488246822 (1.86598e-05% change)
linmin: converged after 5 iterations.
iteration 61: trace = 4.163135708650155 (1.87262e-05% change)
linmin: converged after 6 iterations.
iteration 62: trace = 4.16313492620536 (1.87946e-05% change)
linmin: converged after 6 iterations.
iteration 63: trace = 4.163134140827234 (1.88651e-05% change)
linmin: converged after 7 iterations.
iteration 64: trace = 4.163133352430576 (1.89376e-05% change)
linmin: converged after 4 iterations.
iteration 65: trace = 4.163132560930322 (1.90121e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 4.163131766241523 (1.90887e-05% change)
linmin: converged after 10 iterations.
iteration 67: trace = 4.163130968279442 (1.91674e-05% change)
linmin: converged after 7 iterations.
iteration 68: trace = 4.163130166959633 (1.9248e-05% change)
linmin: converged after 3 iterations.
iteration 69: trace = 4.163129362197923 (1.93307e-05% change)
resetting CG direction...
large trace change predicted (0.20048%)
linmin: converged after 4 iterations.
iteration 70: trace = 4.154754269036366 (0.201376% change)
linmin: converged after 4 iterations.
iteration 71: trace = 4.151730774648329 (0.0727984% change)
linmin: converged after 4 iterations.
iteration 72: trace = 4.150327728248673 (0.0338% change)
linmin: converged after 3 iterations.
iteration 73: trace = 4.149564355410396 (0.0183948% change)
linmin: converged after 9 iterations.
iteration 74: trace = 4.149045216918441 (0.0125115% change)
linmin: converged after 3 iterations.
iteration 75: trace = 4.148540739501984 (0.0121596% change)
linmin: converged after 4 iterations.
iteration 76: trace = 4.147913030488091 (0.015132% change)
linmin: converged after 5 iterations.
iteration 77: trace = 4.14696335293775 (0.0228979% change)
linmin: converged after 5 iterations.
iteration 78: trace = 4.145419664772184 (0.0372315% change)
linmin: converged after 5 iterations.
iteration 79: trace = 4.143768420700608 (0.0398409% change)
linmin: converged after 4 iterations.
iteration 80: trace = 4.142813620967517 (0.0230445% change)
linmin: converged after 4 iterations.
iteration 81: trace = 4.142427718641198 (0.00931542% change)
linmin: converged after 3 iterations.
iteration 82: trace = 4.142309326847935 (0.00285807% change)
linmin: converged after 3 iterations.
iteration 83: trace = 4.142270291862667 (0.000942353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 4.142259228354433 (0.000267088% change)
linmin: converged after 4 iterations.
iteration 85: trace = 4.142254098558954 (0.000123841% change)
linmin: converged after 4 iterations.
iteration 86: trace = 4.142251825495718 (5.4875e-05% change)
linmin: converged after 5 iterations.
iteration 87: trace = 4.142250854562075 (2.34398e-05% change)
linmin: converged after 2 iterations.
iteration 88: trace = 4.142250458252493 (9.56749e-06% change)
linmin: converged after 6 iterations.
iteration 89: trace = 4.142250016021885 (1.06761e-05% change)
linmin: converged after 5 iterations.
iteration 90: trace = 4.142249199751446 (1.9706e-05% change)
linmin: converged after 5 iterations.
iteration 91: trace = 4.142248059527486 (2.75267e-05% change)
linmin: converged after 5 iterations.
iteration 92: trace = 4.14224631521294 (4.21103e-05% change)
linmin: converged after 6 iterations.
iteration 93: trace = 4.142245417574321 (2.16703e-05% change)
linmin: converged after 4 iterations.
iteration 94: trace = 4.142245181154404 (5.70753e-06% change)
linmin: converged after 2 iterations.
iteration 95: trace = 4.142245107964157 (1.76692e-06% change)
linmin: converged after 2 iterations.
iteration 96: trace = 4.142245088102449 (4.79491e-07% change)
linmin: converged after 2 iterations.
iteration 97: trace = 4.142245076893952 (2.7059e-07% change)
linmin: converged after 2 iterations.
iteration 98: trace = 4.142245071669594 (1.26124e-07% change)
linmin: converged after 2 iterations.
iteration 99: trace = 4.142245069755909 (4.61992e-08% change)
linmin: converged after 2 iterations.
iteration 100: trace = 4.142245069000636 (1.82334e-08% change)
linmin: converged after 3 iterations.
iteration 101: trace = 4.142245068687432 (7.56123e-09% change)
linmin: converged after 4 iterations.
iteration 102: trace = 4.142245068426584 (6.29725e-09% change)
linmin: converged after 2 iterations.
iteration 103: trace = 4.14224506802549 (9.68302e-09% change)
linmin: converged after 2 iterations.
iteration 104: trace = 4.142245067241705 (1.89217e-08% change)
linmin: converged after 2 iterations.
iteration 105: trace = 4.142245066287538 (2.3035e-08% change)
linmin: converged after 4 iterations.
iteration 106: trace = 4.142245065572554 (1.72608e-08% change)
linmin: converged after 2 iterations.
iteration 107: trace = 4.142245065259731 (7.55203e-09% change)
linmin: converged after 12 iterations.
iteration 108: trace = 4.142245065162615 (2.34453e-09% change)
linmin: converged after 3 iterations.
iteration 109: trace = 4.142245065142515 (4.85231e-10% change)
linmin: converged after 5 iterations.
iteration 110: trace = 4.142245065136632 (1.42032e-10% change)
linmin: converged after 2 iterations.
iteration 111: trace = 4.142245065134214 (5.83864e-11% change)
Finished solving for bands 1 to 4 after 111 iterations.
freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313
elapsed time for k point: 0.6705372333526611
zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821
yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626
solve_kpoint (2.42,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 4.665766465874563 (0.565815% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.659489395826522 (0.134625% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.658891363438755 (0.0128355% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.65871096353985 (0.00387224% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.658687038855446 (0.000513549% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.65868325667982 (8.11855e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.658682393128436 (1.85364e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.658682225170776 (3.60526e-06% change)
linmin: converged after 34 iterations.
iteration 9: trace = 4.658682176904288 (1.03605e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.658682160894788 (3.43649e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.658682157651009 (6.96287e-08% change)
linmin: converged after 13 iterations.
iteration 12: trace = 4.658682156823364 (1.77657e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.658682156624814 (4.26193e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.658682156534685 (1.93464e-09% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.658682156472834 (1.32767e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.658682156406861 (1.41613e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.658682156300657 (2.2797e-09% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.658682156170637 (2.79091e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.658682156060237 (2.36978e-09% change)
linmin: converged after 9 iterations.
iteration 20: trace = 4.658682156016944 (9.29286e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.658682156004986 (2.56691e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.658682156001959 (6.49736e-11% change)
Finished solving for bands 1 to 4 after 22 iterations.
freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602
elapsed time for k point: 0.13729071617126465
zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786
yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477
solve_kpoint (2.71,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
iteration 1: trace = 5.231306463684254 (0.398399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.226476483996172 (0.092371% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.225996832030691 (0.00917777% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.225846177241163 (0.00288284% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.225825962252783 (0.000386828% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.225822836954248 (5.98049e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 5.225822132024473 (1.34894e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 5.225821997941996 (2.56577e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 5.225821960503556 (7.16412e-07% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.225821946532259 (2.67351e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.225821943078972 (6.60812e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.225821942125431 (1.82467e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.225821941909169 (4.13833e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.225821941839987 (1.32385e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.225821941820714 (3.68812e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.22582194181603 (8.96197e-11% change)
Finished solving for bands 1 to 4 after 16 iterations.
freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208
elapsed time for k point: 0.10031270980834961
zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984
yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271
solve_kpoint (3,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
iteration 1: trace = 5.849410752654952 (0.287035% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.84554894659623 (0.0660422% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.845128893013053 (0.00718613% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.844992170146368 (0.00233912% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.844973984450393 (0.000311133% change)
linmin: converged after 2 iterations.
iteration 6: trace = 5.844971151658916 (4.84654e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 5.844970494856534 (1.12371e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 5.84497036803691 (2.16972e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 5.844970331184175 (6.30503e-07% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.844970316460044 (2.51911e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.844970312633015 (6.54756e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.844970311596862 (1.77273e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.844970311355159 (4.13524e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.844970311278132 (1.31782e-09% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.844970311258017 (3.4415e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.844970311253993 (6.88361e-11% change)
Finished solving for bands 1 to 4 after 16 iterations.
freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105
Felapsed time for k point: 0.10054993629455566
zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099
yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029
Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0>
Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0>
Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0>
Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0>
total elapsed time for run: 2.530282735824585
done
/tmp/meepg15Lzl/test_strip-0: 2.53s
/tmp/meepg15Lzl/test_subpixel_averaging-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
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: 0.0013666152954101562
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 16.43562660590545 (193.917% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.351920811739596 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941398682059 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442394744765 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051629235 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721697129456 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188267836 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673646049 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252900363 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.552443857308032 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665187532 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017061157 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.54966786513575 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098470304 (0.00448265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.549201514030332 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844744959 (0.00294946% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.548889740788108 (0.00266904% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.548754804754168 (0.0024318% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.548644091159376 (0.00199531% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.548524364283067 (0.00215779% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.548418602726275 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793423716 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771340467 (0.00148087% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.548181174456428 (0.000984045% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.548144653663273 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351760882 (0.000311851% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.548121244542916 (0.000110077% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
linmin: converged after 19 iterations.
iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
linmin: converged after 12 iterations.
iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.54811772579812 (3.674e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
linmin: converged after 11 iterations.
iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
linmin: converged after 2 iterations.
iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.548117725327502 (1.399e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.14291024208068848
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696291 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490353 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957674 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526862 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966754 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.56841212629927 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122088 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567696791864468 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607942 (0.00248501% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.567469488484435 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620304 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724766421 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
large trace change predicted (2.01083e-06%)
linmin: converged after 3 iterations.
iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934829542728 (0.00850833% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931786439851 (5.438e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
linmin: converged after 9 iterations.
iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
linmin: converged after 8 iterations.
iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
linmin: converged after 16 iterations.
iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
linmin: converged after 7 iterations.
iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
linmin: converged after 6 iterations.
iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
linmin: converged after 6 iterations.
iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
linmin: converged after 12 iterations.
iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
linmin: converged after 6 iterations.
iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
linmin: converged after 14 iterations.
iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
linmin: converged after 18 iterations.
iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
linmin: converged after 6 iterations.
iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
linmin: converged after 11 iterations.
iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
linmin: converged after 6 iterations.
iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
linmin: converged after 11 iterations.
iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
linmin: converged after 9 iterations.
iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
resetting CG direction...
large trace change predicted (0.0754139%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718791619934 (0.0755373% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516684727867 (0.0575803% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556793013230669 (0.0490032% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011967145533 (0.0500602% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006920056384 (0.0361074% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548836833941 (0.0262657% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458227577396 (0.0196506% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474819513256 (0.0177224% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547115065462505 (0.0245098% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.54523632209241 (0.0338746% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543229181113321 (0.0362023% change)
linmin: converged after 6 iterations.
iteration 81: trace = 5.541884533460034 (0.0242604% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240204148623 (0.0116272% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832188466245 (0.00736353% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632131596888 (0.00361066% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.54055123405935 (0.00146009% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517986674275 (0.000600075% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050759681813 (0.000187525% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
linmin: converged after 12 iterations.
iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
linmin: converged after 4 iterations.
iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
linmin: converged after 5 iterations.
iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
linmin: converged after 26 iterations.
iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
linmin: converged after 2 iterations.
iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
linmin: converged after 3 iterations.
iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
linmin: converged after 22 iterations.
iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
linmin: converged after 20 iterations.
iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
linmin: converged after 10 iterations.
iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
linmin: converged after 6 iterations.
iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
linmin: converged after 14 iterations.
iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
linmin: converged after 22 iterations.
iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
linmin: converged after 5 iterations.
iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
linmin: converged after 8 iterations.
iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
linmin: converged after 6 iterations.
iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
linmin: converged after 7 iterations.
iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.39432668685913086
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081906886 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029230354 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358016661 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093768127 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600027 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472869 (0.00159856% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.499394110717561 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402903615 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
linmin: converged after 22 iterations.
iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
linmin: converged after 21 iterations.
iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288365 (3.927e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.08687067031860352
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070060288 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.48951410918756 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111946258 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983972192 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583129 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149454 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235754 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.4854697726345 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450172 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
linmin: converged after 8 iterations.
iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
linmin: converged after 20 iterations.
iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.08008432388305664
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023690265 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601559527 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987779131 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809291422 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443436545 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668776 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729419 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832037 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535172 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715457 (0.000137015% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.09255266189575195
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373818651 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679621043 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373713 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343178518 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553180676 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996600942 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367565776 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112740755 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.54289953368532 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443529 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714777 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259752 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189849 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693498 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652978 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689273 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647872 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530765351 (3.188e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
linmin: converged after 18 iterations.
iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.14505529403686523
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.49084703371067 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081941158 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780898647 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.42393492273816 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451083263 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496868401 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.420079757030999 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599717 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279239 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.419827885109797 (0.000625805% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.419810483680828 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901274 (0.000153156% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
linmin: converged after 10 iterations.
iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
linmin: converged after 19 iterations.
iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
linmin: converged after 28 iterations.
iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.10951733589172363
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585098777 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345181586 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628587797 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773571611 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212757 (0.0113242% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.241004235880027 (0.00400633% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.240908449573547 (0.00182765% change)
linmin: converged after 8 iterations.
iteration 8: trace = 5.240871741597562 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765952 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
linmin: converged after 21 iterations.
iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.09278464317321777
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984911209 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052458 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787865958 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833572 (0.00623852% change)
linmin: converged after 13 iterations.
iteration 5: trace = 5.096616721986512 (0.00298415% change)
linmin: converged after 11 iterations.
iteration 6: trace = 5.096573167031289 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.09655638746635 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105121041 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
linmin: converged after 29 iterations.
iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
linmin: converged after 10 iterations.
iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
linmin: converged after 18 iterations.
iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.08013653755187988
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945911666 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962615 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252572 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190668 (0.00358098% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.006460294301386 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180252 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 5 iterations.
iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.07658171653747559
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750422817 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350142001 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668874767 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931419 (0.00298359% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.975999205362136 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.97598715319157 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
large trace change predicted (3.48831e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.07624125480651855
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627903 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694841113 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796213694 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352595 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.03642296255062 (0.00280715% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.036388281602308 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959922 (0.000130166% change)
linmin: converged after 5 iterations.
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 = 5.036378561422627 (4.3464e-06% change)
linmin: converged after 8 iterations.
iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.060353994369506836
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352141679 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254295405 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.20858245950052 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191114015 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251346342 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445304 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.20660483148758 (0.00102469% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.20657931918138 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.206571394211488 (0.000152211% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 28 iterations.
iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
linmin: converged after 19 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.206566305891688 (3.944e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.07018041610717773
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300297 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749509 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421309 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553076 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971117 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855433 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.417857723333922 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575125 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397949 (0.00376953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.41714555781147 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895422 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169102 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680252 (1.054e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
linmin: converged after 12 iterations.
iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.09620022773742676
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178995311 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902382186 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640710798 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903157751 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966091428 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.52324406186046 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055216095 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379626 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667799 (0.00194077% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.522540696465946 (0.00197377% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.522446530191273 (0.00170514% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.52235836692082 (0.00159647% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.522300787118438 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461873 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218168396 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
linmin: converged after 26 iterations.
iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
linmin: converged after 15 iterations.
iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
linmin: converged after 13 iterations.
iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
linmin: converged after 9 iterations.
iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
linmin: converged after 13 iterations.
iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
linmin: converged after 10 iterations.
iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.11208176612854004
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343691101 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468802228 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.58095164094521 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172748464 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736265576 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107769147 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885898596 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641996 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938950607 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951401199 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880778933 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664431419 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502533722 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283169137 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673571812 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541202156408 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389444946 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785538985 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668009218461 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318638169371 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631604856 (0.0270657% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.558314619082214 (0.0269652% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.55696024545343 (0.0243696% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.555789587385524 (0.0210687% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.554798721782022 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114886711 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.55337603656394 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913677508551 (0.00832608% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.55255583873694 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970532592 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980061434909 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718957430488 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590886615 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249527211484 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677818786 (0.00363617% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.55086432557669 (0.00330308% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189460662 (0.00304707% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.550537718322757 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745378974 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430921961 (0.00247399% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.550124903882509 (0.00231572% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.550004422979574 (0.0021708% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891462758519 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.54978575774374 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687478311515 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597232227999 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438629776 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431569842 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373301151855 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832485513 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246790185274 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393589712 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131425123482 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954749279 (0.000945565% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029215008254 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.548981603998273 (0.00085801% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936442007346 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894439021208 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.548855472835694 (0.000702236% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214793042 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940943994 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719557429 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070514274 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460946193 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158284956 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598783181054 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.54856972418999 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403643044 (0.000456345% change)
linmin: converged after 3 iterations.
iteration 69: trace = 5.548522919968383 (0.000387196% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976875334 (0.00347744% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222627282 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081127551 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373809741 (0.000391252% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375786459 (0.000180205% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
linmin: converged after 5 iterations.
iteration 79: trace = 5.548128746388062 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649325782 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
linmin: converged after 9 iterations.
iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
linmin: converged after 2 iterations.
iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
linmin: converged after 3 iterations.
iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
linmin: converged after 8 iterations.
iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.2522132396697998
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
total elapsed time for run: 1.9706509113311768
done
epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
.Outputting /tmp/meepg15Lzl/test_subpixel_averaging-0-epsilon.h5...
/tmp/meepg15Lzl/test_subpixel_averaging-0: 1.98s
/tmp/meepg15Lzl/test_symmetry_overlap-0
========================
Initializing eigensolver data
Computing 6 bands with 1e-12 tolerance
Working in 3 dimensions.
Grid size is 32 x 32 x 32.
Solving for 6 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
sphere, center = (0,0,0)
radius 0.25
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: .
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.5>
elapsed time for initialization: 0.0455322265625
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...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 15.74018598579249 (195.749% change)
linmin: converged after 9 iterations.
iteration 2: trace = 3.090147276233731 (134.358% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.39752372069761 (25.2429% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.145761074543341 (11.0828% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.068316051370429 (3.67554% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.048480958527572 (0.963618% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.043452743659615 (0.245762% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.041240675658027 (0.10831% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.040708177321921 (0.0260904% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.040466618259406 (0.0118377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.040385065982352 (0.00399683% change)
linmin: converged after 5 iterations.
iteration 12: trace = 2.040354111287643 (0.00151711% change)
linmin: converged after 5 iterations.
iteration 13: trace = 2.040341169825954 (0.000634277% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.040337077970569 (0.000200548% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.040336153622575 (4.53037e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.040335806340879 (1.70208e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.040335710845959 (4.68035e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.040335672642774 (1.8724e-06% change)
linmin: converged after 22 iterations.
iteration 19: trace = 2.040335654413402 (8.9345e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.040335648243747 (3.02384e-07% change)
linmin: converged after 18 iterations.
iteration 21: trace = 2.040335646291806 (9.56677e-08% change)
linmin: converged after 7 iterations.
iteration 22: trace = 2.04033564561653 (3.30963e-08% change)
linmin: converged after 21 iterations.
iteration 23: trace = 2.040335645457566 (7.79107e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.040335645416252 (2.02487e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 2.040335645404155 (5.92892e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.040335645401636 (1.23432e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 2.04033564540094 (3.41501e-11% change)
Finished solving for bands 1 to 6 after 27 iterations.
freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491
elapsed time for k point: 4.010473728179932
total elapsed time for run: 4.056098699569702
done
Initializing eigensolver data
Computing 6 bands with 1e-12 tolerance
Working in 3 dimensions.
Grid size is 32 x 32 x 32.
Solving for 6 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
sphere, center = (0,0,0)
radius 0.25
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: zeven.
Initializing fields to random numbers...
1 k-points
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.044661521911621094
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...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 18.95589239481535 (193.84% change)
linmin: converged after 12 iterations.
iteration 2: trace = 4.039421326965928 (129.735% change)
linmin: converged after 5 iterations.
iteration 3: trace = 3.237031641771015 (22.0544% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.981724017015089 (8.21089% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.778779921662612 (7.04605% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.649264413471264 (4.77209% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.552598023165624 (3.71661% change)
linmin: converged after 6 iterations.
iteration 8: trace = 2.49999224211558 (2.08233% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.481050506315754 (0.760553% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.47318361058262 (0.317583% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.470951871990917 (0.0902782% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.470390583895061 (0.022718% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.470176090620012 (0.00868294% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.470105989373048 (0.00283795% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.470088975297651 (0.000688802% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.470086848276996 (8.61111e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.470086726387079 (4.93464e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 2.470086678531701 (1.9374e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.470086646747166 (1.28678e-06% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.470086621328261 (1.02907e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.470086599230554 (8.94613e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.470086579159212 (8.12576e-07% change)
linmin: converged after 5 iterations.
iteration 23: trace = 2.470086560435126 (7.58034e-07% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.470086542626187 (7.20984e-07% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.470086525398639 (6.97447e-07% change)
linmin: converged after 5 iterations.
iteration 26: trace = 2.470086508443814 (6.86406e-07% change)
linmin: converged after 5 iterations.
iteration 27: trace = 2.470086491432141 (6.88708e-07% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.470086473971004 (7.06904e-07% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.470086455551509 (7.45702e-07% change)
linmin: converged after 6 iterations.
iteration 30: trace = 2.470086435461984 (8.13313e-07% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.470086412632964 (9.24219e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 2.470086385334096 (1.10518e-06% change)
linmin: converged after 5 iterations.
iteration 33: trace = 2.470086350578639 (1.40705e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 2.470086303711495 (1.89739e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 2.470086256803584 (1.89904e-06% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.470086237769362 (7.70589e-07% change)
linmin: converged after 5 iterations.
iteration 37: trace = 2.470086227711381 (4.07191e-07% change)
linmin: converged after 3 iterations.
iteration 38: trace = 2.470086220769965 (2.81019e-07% change)
linmin: converged after 5 iterations.
iteration 39: trace = 2.470086215312805 (2.2093e-07% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.470086210703905 (1.86589e-07% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.470086206637606 (1.64622e-07% change)
linmin: converged after 5 iterations.
iteration 42: trace = 2.470086202945012 (1.49493e-07% change)
linmin: converged after 7 iterations.
iteration 43: trace = 2.470086199523804 (1.38506e-07% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.470086196306484 (1.30251e-07% change)
linmin: converged after 5 iterations.
iteration 45: trace = 2.470086193246972 (1.23863e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 2.470086190311444 (1.18843e-07% change)
linmin: converged after 5 iterations.
iteration 47: trace = 2.470086187474318 (1.14859e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.470086184715327 (1.11696e-07% change)
linmin: converged after 5 iterations.
iteration 49: trace = 2.470086182017742 (1.0921e-07% change)
linmin: converged after 5 iterations.
iteration 50: trace = 2.470086179367615 (1.07289e-07% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.470086176752181 (1.05884e-07% change)
linmin: converged after 6 iterations.
iteration 52: trace = 2.470086174160263 (1.04932e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.470086171580709 (1.04432e-07% change)
linmin: converged after 9 iterations.
iteration 54: trace = 2.47008616900312 (1.04352e-07% change)
linmin: converged after 6 iterations.
iteration 55: trace = 2.470086166416444 (1.0472e-07% change)
linmin: converged after 5 iterations.
iteration 56: trace = 2.470086163809907 (1.05524e-07% change)
linmin: converged after 8 iterations.
iteration 57: trace = 2.470086161171471 (1.06816e-07% change)
linmin: converged after 6 iterations.
iteration 58: trace = 2.470086158488062 (1.08636e-07% change)
linmin: converged after 6 iterations.
iteration 59: trace = 2.470086155745094 (1.11047e-07% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.470086152925734 (1.1414e-07% change)
linmin: converged after 5 iterations.
iteration 61: trace = 2.470086150010395 (1.18026e-07% change)
linmin: converged after 5 iterations.
iteration 62: trace = 2.470086146975367 (1.22871e-07% change)
linmin: converged after 5 iterations.
iteration 63: trace = 2.470086143791794 (1.28885e-07% change)
linmin: converged after 6 iterations.
iteration 64: trace = 2.47008614042227 (1.36413e-07% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.470086136818356 (1.45902e-07% change)
linmin: converged after 5 iterations.
iteration 66: trace = 2.47008613291373 (1.58077e-07% change)
linmin: converged after 5 iterations.
iteration 67: trace = 2.470086128613541 (1.74091e-07% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.470086123774848 (1.95892e-07% change)
linmin: converged after 7 iterations.
iteration 69: trace = 2.470086118170149 (2.26903e-07% change)
resetting CG direction...
large trace change predicted (5.08616e-06%)
linmin: converged after 4 iterations.
iteration 70: trace = 2.470085992402971 (5.09161e-06% change)
linmin: converged after 4 iterations.
iteration 71: trace = 2.470085917449075 (3.03447e-06% change)
linmin: converged after 4 iterations.
iteration 72: trace = 2.470085857051819 (2.44515e-06% change)
linmin: converged after 10 iterations.
iteration 73: trace = 2.470085794434165 (2.53504e-06% change)
linmin: converged after 5 iterations.
iteration 74: trace = 2.470085684656471 (4.44429e-06% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.470085666272392 (7.44269e-07% change)
linmin: converged after 5 iterations.
iteration 76: trace = 2.470085659657276 (2.67809e-07% change)
linmin: converged after 2 iterations.
iteration 77: trace = 2.470085656852766 (1.13539e-07% change)
linmin: converged after 6 iterations.
iteration 78: trace = 2.470085655579518 (5.15467e-08% change)
linmin: converged after 15 iterations.
iteration 79: trace = 2.470085654980333 (2.42576e-08% change)
linmin: converged after 6 iterations.
iteration 80: trace = 2.470085654692695 (1.16449e-08% change)
linmin: converged after 6 iterations.
iteration 81: trace = 2.47008565455298 (5.65628e-09% change)
linmin: converged after 4 iterations.
iteration 82: trace = 2.47008565448481 (2.75986e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 2.470085654451496 (1.34869e-09% change)
linmin: converged after 4 iterations.
iteration 84: trace = 2.470085654435226 (6.58668e-10% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.470085654427465 (3.14196e-10% change)
linmin: converged after 16 iterations.
iteration 86: trace = 2.470085654423682 (1.53178e-10% change)
linmin: converged after 6 iterations.
iteration 87: trace = 2.470085654421875 (7.31194e-11% change)
Finished solving for bands 2 to 6 after 87 iterations.
zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492
elapsed time for k point: 9.387357950210571
total elapsed time for run: 9.432116746902466
done
Initializing eigensolver data
Computing 6 bands with 1e-12 tolerance
Working in 3 dimensions.
Grid size is 32 x 32 x 32.
Solving for 6 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
sphere, center = (0,0,0)
radius 0.25
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: zodd.
Initializing fields to random numbers...
1 k-points
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.04473376274108887
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...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 18.02221847556454 (194.149% change)
linmin: converged after 11 iterations.
iteration 2: trace = 3.363324203114509 (137.092% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.753285428763914 (19.947% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.542376250784823 (7.96536% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.460265280306889 (3.2827% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.396838326976499 (2.61172% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.342633507615586 (2.28738% change)
linmin: converged after 7 iterations.
iteration 8: trace = 2.313897281250125 (1.23423% change)
linmin: converged after 6 iterations.
iteration 9: trace = 2.300812929616366 (0.567071% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.296327307690695 (0.195148% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.294758109433266 (0.0683585% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.294135222393112 (0.0271476% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.293938668030191 (0.00856806% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.293826788588857 (0.0048773% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.293758588338953 (0.00297325% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.29369419440961 (0.00280739% change)
linmin: converged after 7 iterations.
iteration 17: trace = 2.293618199025774 (0.00331329% change)
linmin: converged after 7 iterations.
iteration 18: trace = 2.293528069881335 (0.00392964% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.293451007226641 (0.00336006% change)
linmin: converged after 8 iterations.
iteration 20: trace = 2.293406432494042 (0.00194358% change)
linmin: converged after 5 iterations.
iteration 21: trace = 2.293384561775683 (0.000953639% change)
linmin: converged after 5 iterations.
iteration 22: trace = 2.293373743494189 (0.000471718% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.293370474414736 (0.000142545% change)
linmin: converged after 5 iterations.
iteration 24: trace = 2.293369520043941 (4.16143e-05% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.293369112326042 (1.77781e-05% change)
linmin: converged after 2 iterations.
iteration 26: trace = 2.293368934281367 (7.76346e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 2.293368844736433 (3.90452e-06% change)
linmin: converged after 2 iterations.
iteration 28: trace = 2.293368821069992 (1.03195e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.293368820578205 (2.14439e-08% change)
linmin: converged after 15 iterations.
iteration 30: trace = 2.293368820560684 (7.63951e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.293368820559674 (4.40532e-11% change)
Finished solving for bands 2 to 6 after 31 iterations.
zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416
.elapsed time for k point: 3.3925890922546387
total elapsed time for run: 3.437434434890747
done
/tmp/meepg15Lzl/test_symmetry_overlap-0: 17.37s
/tmp/meepg15Lzl/test_tri_holes-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.45, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.0021059513092041016
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...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 13.34289714972894 (194.943% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.883288708168695 (77.5984% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.044755956652265 (15.3464% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.759186801709515 (5.8256% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.648502384223162 (2.35306% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.573735188935832 (1.62145% change)
linmin: converged after 8 iterations.
iteration 7: trace = 4.52509608637615 (1.06913% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.490878663187865 (0.75904% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.471972673158225 (0.421874% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.463100096502826 (0.198601% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.457774835855648 (0.119389% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.455553733636293 (0.0498378% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.454264949858793 (0.0289295% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.453628568036768 (0.014288% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.453292324411062 (0.00755017% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.453169254637682 (0.00276361% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.453124198333839 (0.00101179% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.453097708544561 (0.00059486% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.453064686036361 (0.000741565% change)
large trace change predicted (0.00167871%)
linmin: converged after 5 iterations.
iteration 20: trace = 4.45298990841828 (0.00167925% change)
large trace change predicted (0.00355348%)
linmin: converged after 5 iterations.
iteration 21: trace = 4.452831698844816 (0.00355295% change)
linmin: converged after 5 iterations.
iteration 22: trace = 4.452615931157147 (0.00484575% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.452445091453559 (0.00383691% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.452296186462407 (0.0033444% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.452144807934144 (0.00340007% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.45202801093897 (0.00262342% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.451974702503797 (0.0011974% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.451958340675563 (0.000367519% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.451953421809165 (0.000110488% change)
linmin: converged after 5 iterations.
iteration 30: trace = 4.451951355107926 (4.64224e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.451950388858642 (2.1704e-05% change)
linmin: converged after 5 iterations.
iteration 32: trace = 4.451949935124777 (1.01918e-05% change)
linmin: converged after 4 iterations.
iteration 33: trace = 4.451949721654937 (4.79497e-06% change)
linmin: converged after 2 iterations.
iteration 34: trace = 4.451949638042385 (1.87811e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 4.451949603090662 (7.85088e-07% change)
linmin: converged after 10 iterations.
iteration 36: trace = 4.451949587124878 (3.58625e-07% change)
linmin: converged after 6 iterations.
iteration 37: trace = 4.451949578414573 (1.95651e-07% change)
linmin: converged after 2 iterations.
iteration 38: trace = 4.451949573497659 (1.10444e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 4.451949570787107 (6.08846e-08% change)
linmin: converged after 2 iterations.
iteration 40: trace = 4.451949569043551 (3.91639e-08% change)
linmin: converged after 4 iterations.
iteration 41: trace = 4.451949566780466 (5.08336e-08% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.451949562367793 (9.91178e-08% change)
large trace change predicted (2.08746e-07%)
linmin: converged after 2 iterations.
iteration 43: trace = 4.451949553074521 (2.08746e-07% change)
linmin: converged after 2 iterations.
iteration 44: trace = 4.451949540843078 (2.74744e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 4.451949529999953 (2.43559e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 4.451949523238304 (1.51881e-07% change)
linmin: converged after 2 iterations.
iteration 47: trace = 4.451949519159151 (9.16262e-08% change)
linmin: converged after 4 iterations.
iteration 48: trace = 4.451949516240864 (6.55508e-08% change)
linmin: converged after 5 iterations.
iteration 49: trace = 4.451949514432178 (4.06268e-08% change)
linmin: converged after 3 iterations.
iteration 50: trace = 4.451949513681809 (1.68548e-08% change)
linmin: converged after 5 iterations.
iteration 51: trace = 4.451949513453071 (5.13793e-09% change)
linmin: converged after 12 iterations.
iteration 52: trace = 4.451949513392949 (1.35046e-09% change)
linmin: converged after 3 iterations.
iteration 53: trace = 4.451949513373067 (4.46608e-10% change)
linmin: converged after 4 iterations.
iteration 54: trace = 4.451949513363684 (2.10755e-10% change)
linmin: converged after 3 iterations.
iteration 55: trace = 4.451949513358428 (1.18066e-10% change)
linmin: converged after 4 iterations.
iteration 56: trace = 4.451949513355888 (5.7038e-11% change)
Finished solving for bands 2 to 8 after 56 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116
elapsed time for k point: 0.15125441551208496
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.47594446708455 (0.531645% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.470049557564652 (0.131789% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.468237947747928 (0.0405359% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.467329142575571 (0.0203413% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.466696419379508 (0.0141643% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.466267349480991 (0.00960644% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.465882291995668 (0.00862183% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.465603095551343 (0.00625196% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.465254970880233 (0.007796% change)
large trace change predicted (0.015835%)
linmin: converged after 3 iterations.
iteration 10: trace = 4.464548380044759 (0.0158255% change)
large trace change predicted (0.0385932%)
linmin: converged after 6 iterations.
iteration 11: trace = 4.462859568819666 (0.0378343% change)
linmin: converged after 10 iterations.
iteration 12: trace = 4.460811970277925 (0.0458914% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.459584283478679 (0.0275254% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.459118661364628 (0.0104415% change)
linmin: converged after 7 iterations.
iteration 15: trace = 4.458964421199068 (0.00345904% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.458929960323483 (0.000772848% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.458912092727452 (0.000400716% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.458904032336828 (0.000180771% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.458899161081643 (0.000109248% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.458897017351457 (4.80776e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.45889596075534 (2.36964e-05% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.458895419253098 (1.21443e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.458895086285063 (7.4675e-06% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.458894672876793 (9.27154e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.458893966784354 (1.58356e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 4.458892812036253 (2.58976e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.458891509286692 (2.92169e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 4.458890473613824 (2.32271e-05% change)
linmin: converged after 7 iterations.
iteration 29: trace = 4.458889874545344 (1.34354e-05% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.458889622685652 (5.64848e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 4.45888952643595 (2.1586e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 4.458889488492838 (8.50954e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 4.458889473720224 (3.31307e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 4.45888946816392 (1.24612e-07% change)
linmin: converged after 3 iterations.
iteration 35: trace = 4.458889466116759 (4.59119e-08% change)
linmin: converged after 5 iterations.
iteration 36: trace = 4.45888946524228 (1.9612e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 4.458889464752234 (1.09903e-08% change)
linmin: converged after 18 iterations.
iteration 38: trace = 4.4588894644632 (6.48219e-09% change)
linmin: converged after 4 iterations.
iteration 39: trace = 4.458889464280369 (4.10038e-09% change)
linmin: converged after 4 iterations.
iteration 40: trace = 4.458889464100636 (4.03088e-09% change)
linmin: converged after 4 iterations.
iteration 41: trace = 4.458889463833435 (5.99255e-09% change)
linmin: converged after 7 iterations.
iteration 42: trace = 4.458889463451232 (8.5717e-09% change)
linmin: converged after 8 iterations.
iteration 43: trace = 4.458889462992349 (1.02914e-08% change)
linmin: converged after 7 iterations.
iteration 44: trace = 4.458889462497352 (1.11014e-08% change)
linmin: converged after 4 iterations.
iteration 45: trace = 4.458889462139591 (8.02354e-09% change)
linmin: converged after 4 iterations.
iteration 46: trace = 4.458889461932944 (4.63448e-09% change)
linmin: converged after 7 iterations.
iteration 47: trace = 4.458889461821264 (2.50467e-09% change)
linmin: converged after 6 iterations.
iteration 48: trace = 4.458889461773406 (1.07331e-09% change)
linmin: converged after 5 iterations.
iteration 49: trace = 4.458889461754992 (4.12986e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 4.458889461749086 (1.32443e-10% change)
linmin: converged after 4 iterations.
iteration 51: trace = 4.458889461747212 (4.20297e-11% change)
Finished solving for bands 1 to 8 after 51 iterations.
tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546
elapsed time for k point: 0.166229248046875
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.492158134805232 (0.545791% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.485756356464682 (0.142612% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.48359772319342 (0.0481335% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.482688838957788 (0.0202734% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.482289052223193 (0.00891886% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.482111886539243 (0.00395265% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.481989042618931 (0.0027408% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.481900761942899 (0.0019697% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.481819566982614 (0.00181164% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.481727172834768 (0.00206155% change)
linmin: converged after 13 iterations.
iteration 11: trace = 4.481640274020332 (0.00193898% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.481586984826549 (0.00118906% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.481566235482779 (0.000462992% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.481558614049679 (0.000170062% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.481555960259477 (5.92158e-05% change)
linmin: converged after 18 iterations.
iteration 16: trace = 4.481555115788896 (1.88432e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.481554758617398 (7.96981e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.481554675435327 (1.8561e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 4.481554649662253 (5.75092e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.481554642967519 (1.49384e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.481554640848156 (4.72908e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.481554640163128 (1.52855e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.481554639855202 (6.87097e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.481554639686879 (3.75591e-09% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.481554639614053 (1.625e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.48155463958997 (5.3738e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.481554639582904 (1.57676e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.481554639580319 (5.76719e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022
elapsed time for k point: 0.09215641021728516
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.54301972900394 (0.515577% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.537380948842903 (0.124197% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.535410322902087 (0.0434403% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.534688093386124 (0.0159255% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534407372590857 (0.00619071% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.534314483921439 (0.00204855% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.534272775355565 (0.000919847% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.53425640839527 (0.000360962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.53425029643229 (0.000134795% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.534247094432772 (7.06181e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.534244850401082 (4.94907e-05% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.534242751425728 (4.62916e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.534241209054622 (3.40161e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.534240295109358 (2.01565e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.534239883207084 (9.08426e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.534239659653652 (4.93034e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.534239494917887 (3.63315e-06% change)
linmin: converged after 9 iterations.
iteration 18: trace = 4.53423941526584 (1.75668e-06% change)
linmin: converged after 17 iterations.
iteration 19: trace = 4.534239379667346 (7.85104e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.534239370364457 (2.0517e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.534239368024673 (5.16026e-08% change)
linmin: converged after 15 iterations.
iteration 22: trace = 4.534239367497578 (1.16248e-08% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.534239367336916 (3.54332e-09% change)
linmin: converged after 9 iterations.
iteration 24: trace = 4.534239367284071 (1.16546e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.534239367267459 (3.66359e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.534239367261488 (1.31692e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.534239367259118 (5.22811e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658
elapsed time for k point: 0.08911514282226562
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.621404992372711 (0.557147% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.6140413474812 (0.159465% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.61047769647457 (0.0772648% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.608710813617704 (0.0383306% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.60786323375121 (0.0183925% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.607531544207422 (0.0071986% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.607374227312376 (0.0034144% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.607318349687175 (0.00121279% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.607296971209591 (0.000464012% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.607286359307485 (0.000230328% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.607280058156396 (0.000136765% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.607276056851829 (8.68475e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.607274338045066 (3.73064e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.607273686828223 (1.41345e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.60727349105639 (4.24919e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.607273423326171 (1.47007e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.60727339645474 (5.83239e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.607273383999384 (2.70341e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.607273373222187 (2.33917e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.607273363837915 (2.03684e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.607273356409584 (1.61231e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.607273352713705 (8.02184e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.607273351035127 (3.64332e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.607273350488983 (1.1854e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.607273350318332 (3.70395e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.607273350261742 (1.22828e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.607273350235106 (5.7812e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.607273350217991 (3.71482e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.607273350209259 (1.8952e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.607273350205848 (7.40265e-11% change)
Finished solving for bands 1 to 8 after 30 iterations.
tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191
elapsed time for k point: 0.09861326217651367
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.692438286201939 (0.712878% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.67858755927342 (0.295607% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.669219826103069 (0.200426% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.662995938259231 (0.133385% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.659382161777872 (0.0775291% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.65741179558654 (0.0422971% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.656216146536877 (0.0256753% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.655574406992827 (0.0137834% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.655148468920621 (0.00914941% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.654836684042732 (0.00669786% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.654665296959346 (0.00368198% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.654604621969572 (0.00130354% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.654589608102698 (0.00032256% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.654585491988865 (8.84313e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.654584391756915 (2.36376e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.654584007912179 (8.2466e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.654583872099503 (2.91783e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.654583818003201 (1.16222e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.654583786952053 (6.67109e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.654583768788886 (3.90221e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.654583758229811 (2.26853e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.654583754130684 (8.80665e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.654583752195758 (4.15703e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.654583750968559 (2.63654e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.654583749955052 (2.17744e-08% change)
linmin: converged after 10 iterations.
iteration 26: trace = 4.654583749144854 (1.74064e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 4.654583748504239 (1.37631e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 4.654583748161551 (7.36237e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.65458374803795 (2.65546e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 4.654583747984037 (1.15828e-09% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.654583747952655 (6.74217e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 4.654583747932777 (4.2707e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 4.65458374792053 (2.63119e-10% change)
linmin: converged after 5 iterations.
iteration 34: trace = 4.654583747914256 (1.34794e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 4.654583747911483 (5.95734e-11% change)
Finished solving for bands 1 to 8 after 35 iterations.
tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797
elapsed time for k point: 0.11479854583740234
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.663405538594692 (0.126187% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.661028794315041 (0.0509788% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.659462455612591 (0.0336106% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.658444596655547 (0.0218474% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.658018186979108 (0.0091539% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.657889867112099 (0.00275485% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.657833401920459 (0.00121226% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.65781204755369 (0.000458462% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.657804893687837 (0.000153589% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.657803287529403 (3.44832e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.657802747123242 (1.16022e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.657802583154767 (3.5203e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.65780251250674 (1.51677e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.6578024827709 (6.38409e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.657802459850044 (4.92096e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.657802440944282 (4.05894e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.657802424135099 (3.60882e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.657802413141304 (2.3603e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.657802408226822 (1.05511e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.657802405927214 (4.93711e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.657802404388961 (3.30253e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.657802403523613 (1.85785e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.657802403119728 (8.67115e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.657802402939369 (3.87219e-09% change)
linmin: converged after 12 iterations.
iteration 25: trace = 4.657802402884991 (1.16746e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.657802402867798 (3.6913e-10% change)
linmin: converged after 11 iterations.
iteration 27: trace = 4.657802402862908 (1.04992e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.657802402861526 (2.96708e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796
elapsed time for k point: 0.09199404716491699
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.672735728065847 (0.129732% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.670213935694965 (0.0539828% change)
linmin: converged after 9 iterations.
iteration 3: trace = 4.668592631123381 (0.0347219% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.667637099611373 (0.0204693% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.667264545138923 (0.00798197% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.667162918370009 (0.00217746% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.667121297309043 (0.000891789% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.667105889510089 (0.000330136% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.667099608686899 (0.000134576% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.667097710975308 (4.06615e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.667096867241917 (1.80783e-05% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.667096564921277 (6.4777e-06% change)
linmin: converged after 14 iterations.
iteration 13: trace = 4.66709642353641 (3.0294e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.667096341918578 (1.74879e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.667096252445055 (1.91711e-06% change)
linmin: converged after 20 iterations.
iteration 16: trace = 4.667096174501475 (1.67007e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.667096128228516 (9.91472e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.667096109587968 (3.99404e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.667096103667988 (1.26845e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.667096101434449 (4.78571e-08% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.667096100309831 (2.40967e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.667096099663392 (1.3851e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.667096099284753 (8.11295e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.66709609908991 (4.17481e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.66709609900776 (1.7602e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.667096098964764 (9.21254e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.667096098939577 (5.39671e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.667096098919733 (4.25202e-10% change)
linmin: converged after 8 iterations.
iteration 29: trace = 4.667096098902281 (3.73933e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.667096098892164 (2.16778e-10% change)
linmin: converged after 15 iterations.
iteration 31: trace = 4.667096098888665 (7.49617e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792
elapsed time for k point: 0.10213160514831543
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.687244093032177 (0.138258% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.68450112164773 (0.058537% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.682869930576683 (0.0348271% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.682034068316317 (0.017851% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.681730640008873 (0.0064809% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.681655106922102 (0.00161337% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.681629472566263 (0.000547551% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.681621443725991 (0.000171497% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.681618077224002 (7.19089e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.681616737998083 (2.86061e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.681615858546355 (1.87852e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.681615429378891 (9.16708e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.681615194362362 (5.01999e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.681615039712051 (3.30335e-06% change)
linmin: converged after 6 iterations.
iteration 15: trace = 4.681614869242017 (3.64127e-06% change)
linmin: converged after 8 iterations.
iteration 16: trace = 4.681614726230351 (3.05475e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.681614658041417 (1.45653e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.681614630400924 (5.90405e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.68161462095171 (2.01837e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.681614615856853 (1.08827e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.681614612123163 (7.97522e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.681614608813805 (7.06884e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.68161460661389 (4.69905e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.681614605684865 (1.98441e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 4.681614605285612 (8.52811e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.681614605099324 (3.97913e-09% change)
linmin: converged after 2 iterations.
iteration 27: trace = 4.681614605024981 (1.58798e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 4.681614605000406 (5.24926e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 4.681614604988978 (2.44108e-10% change)
linmin: converged after 6 iterations.
iteration 30: trace = 4.681614604983472 (1.17605e-10% change)
linmin: converged after 17 iterations.
iteration 31: trace = 4.681614604980835 (5.63268e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805
elapsed time for k point: 0.10159063339233398
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.705683450233832 (0.150475% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.702693967398454 (0.0635494% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.701070860685245 (0.0345204% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.700326710701877 (0.0158306% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.700066397544942 (0.00553835% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.699999664100543 (0.00141985% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.699978616958633 (0.000447813% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.699972034548925 (0.000140052% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.699969000630877 (6.45519e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.699967170929802 (3.89301e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.699965319407021 (3.93944e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.699964030426752 (2.74253e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.699963193699698 (1.78028e-05% change)
linmin: converged after 13 iterations.
iteration 14: trace = 4.699962560785059 (1.34664e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.699961832691024 (1.54915e-05% change)
linmin: converged after 8 iterations.
iteration 16: trace = 4.699961225600806 (1.29169e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.699960906583666 (6.78765e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.699960737235768 (3.60318e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.699960644725966 (1.96831e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.699960592889878 (1.1029e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.699960564066775 (6.13263e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.699960551853538 (2.59858e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.69996054723549 (9.82572e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.699960545971039 (2.69034e-08% change)
linmin: converged after 16 iterations.
iteration 25: trace = 4.699960545396193 (1.22309e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.699960545062289 (7.10439e-09% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.699960544894044 (3.57971e-09% change)
linmin: converged after 8 iterations.
iteration 28: trace = 4.699960544831154 (1.3381e-09% change)
linmin: converged after 6 iterations.
iteration 29: trace = 4.699960544805101 (5.54341e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.699960544792848 (2.60692e-10% change)
linmin: converged after 8 iterations.
iteration 31: trace = 4.699960544786444 (1.36251e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 4.699960544782283 (8.85351e-11% change)
Finished solving for bands 1 to 8 after 32 iterations.
tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946
elapsed time for k point: 0.10564923286437988
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.726091835505287 (0.165622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.722802797492552 (0.0696174% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.721109191086882 (0.0358666% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.720325201509452 (0.0166074% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.72002872799142 (0.00628098% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.719918630346546 (0.00233259% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.719865321785012 (0.00112944% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.719831657789942 (0.000713243% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.71980741335517 (0.000513673% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.719790508681744 (0.000358165% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.719779814604564 (0.00022658% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.719770348472877 (0.000200563% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.719756280307735 (0.000298069% change)
large trace change predicted (0.000793235%)
linmin: converged after 15 iterations.
iteration 14: trace = 4.719718876294719 (0.000792502% change)
large trace change predicted (0.00173209%)
linmin: converged after 4 iterations.
iteration 15: trace = 4.719637476238337 (0.0017247% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.719538716015165 (0.00209256% change)
linmin: converged after 6 iterations.
iteration 17: trace = 4.719446199514753 (0.00196031% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.719342067157387 (0.00220648% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.719250145660985 (0.00194778% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.719204779897166 (0.000961296% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.719181996963679 (0.000482772% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.71917349179555 (0.000180226% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.719169509308651 (8.43895e-05% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.719167458935975 (4.34478e-05% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.719165917310743 (3.26673e-05% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.71916510764345 (1.7157e-05% change)
linmin: converged after 2 iterations.
iteration 27: trace = 4.719164862213012 (5.20072e-06% change)
linmin: converged after 2 iterations.
iteration 28: trace = 4.719164785194017 (1.63205e-06% change)
linmin: converged after 2 iterations.
iteration 29: trace = 4.719164760924096 (5.14284e-07% change)
linmin: converged after 2 iterations.
iteration 30: trace = 4.719164750429895 (2.22374e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 4.719164743982211 (1.36628e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 4.719164738001871 (1.26725e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 4.719164732533893 (1.15867e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 4.719164729191952 (7.08164e-08% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.719164727748357 (3.05901e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 4.71916472725019 (1.05563e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 4.719164726984241 (5.63551e-09% change)
linmin: converged after 9 iterations.
iteration 38: trace = 4.719164726836323 (3.13441e-09% change)
linmin: converged after 2 iterations.
iteration 39: trace = 4.719164726707298 (2.73406e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 4.719164726548755 (3.35956e-09% change)
linmin: converged after 10 iterations.
iteration 41: trace = 4.719164726296947 (5.33585e-09% change)
linmin: converged after 2 iterations.
iteration 42: trace = 4.719164725852078 (9.42686e-09% change)
linmin: converged after 13 iterations.
iteration 43: trace = 4.719164725066077 (1.66555e-08% change)
linmin: converged after 14 iterations.
iteration 44: trace = 4.71916472372212 (2.84787e-08% change)
linmin: converged after 4 iterations.
iteration 45: trace = 4.719164722419702 (2.75985e-08% change)
linmin: converged after 16 iterations.
iteration 46: trace = 4.719164721562477 (1.81648e-08% change)
linmin: converged after 21 iterations.
iteration 47: trace = 4.719164720988466 (1.21634e-08% change)
linmin: converged after 12 iterations.
iteration 48: trace = 4.719164720623193 (7.74021e-09% change)
linmin: converged after 4 iterations.
iteration 49: trace = 4.71916472038204 (5.11008e-09% change)
linmin: converged after 10 iterations.
iteration 50: trace = 4.719164720281913 (2.12171e-09% change)
linmin: converged after 4 iterations.
iteration 51: trace = 4.719164720241513 (8.56096e-10% change)
linmin: converged after 5 iterations.
iteration 52: trace = 4.719164720225395 (3.41539e-10% change)
linmin: converged after 3 iterations.
iteration 53: trace = 4.719164720218767 (1.4044e-10% change)
linmin: converged after 5 iterations.
iteration 54: trace = 4.719164720216025 (5.81182e-11% change)
Finished solving for bands 1 to 8 after 54 iterations.
tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518
elapsed time for k point: 0.17621827125549316
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.692944380167901 (0.970793% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.672476472712366 (0.437095% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.66134504154787 (0.238518% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.656898551873837 (0.0954362% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.655008764250136 (0.0405886% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.65439933608623 (0.0130927% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.654116590783703 (0.00607498% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.654018455429475 (0.00210859% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.653979714231966 (0.000832428% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.653965914128501 (0.000296523% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.653960270293428 (0.000121269% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.653958279342972 (4.27797e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.653957534859846 (1.59968e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.653957210162117 (6.97681e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.65395702585214 (3.96029e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.653956928560747 (2.09051e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.653956875769952 (1.13432e-06% change)
linmin: converged after 13 iterations.
iteration 18: trace = 4.653956841201484 (7.42776e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 4.653956819085474 (4.75209e-07% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.653956809935063 (1.96616e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.653956806517482 (7.34339e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.653956805199021 (2.83299e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.65395680466305 (1.15165e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.653956804367976 (6.34029e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.653956804189207 (3.84123e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.65395680409557 (2.01199e-09% change)
linmin: converged after 2 iterations.
iteration 27: trace = 4.653956804061929 (7.2284e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.653956804052053 (2.12199e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.65395680404941 (5.67951e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842
elapsed time for k point: 0.09525537490844727
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.588920978578234 (0.874534% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.575249860619992 (0.29836% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.569227615780098 (0.131713% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.567129923726858 (0.0459197% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.566231478753179 (0.0196739% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.565933792276804 (0.00651952% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.565803133406301 (0.00286164% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.565757220078061 (0.0010056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.565743625954823 (0.000297741% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.565739612896303 (8.7895e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.565738200055283 (3.09444e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.565737746810887 (9.92708e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.565737597483525 (3.27061e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.565737552537141 (9.84428e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.565737539290494 (2.90132e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.565737535646702 (7.98073e-08% change)
linmin: converged after 8 iterations.
iteration 17: trace = 4.565737534603485 (2.28488e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.565737534315074 (6.31686e-09% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.565737534206797 (2.37151e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.565737534143939 (1.37674e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 4.565737534100027 (9.61782e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.565737534070947 (6.36915e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.56573753405284 (3.96591e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 4.56573753404194 (2.38729e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.56573753403582 (1.34032e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.565737534032801 (6.61212e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032
elapsed time for k point: 0.08627200126647949
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.508620212892092 (0.753199% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.499716957737254 (0.197667% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.496660861798947 (0.0679406% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.495746516235535 (0.0203359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.495430397031106 (0.00703176% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.495345271640709 (0.00189362% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.495315544672337 (0.000661286% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.495303649148995 (0.000264621% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.495300564167791 (6.86268e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.495299803160997 (1.69289e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.495299629871562 (3.8549e-06% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.495299593694352 (8.04779e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.495299585129781 (1.90523e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.4952995829639 (4.8181e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.49529958214405 (1.8238e-08% change)
linmin: converged after 28 iterations.
iteration 16: trace = 4.495299581549299 (1.32305e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.495299580823784 (1.61394e-08% change)
linmin: converged after 8 iterations.
iteration 18: trace = 4.495299579922003 (2.00605e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.495299579325445 (1.32707e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.49529957906551 (5.78236e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.49529957896095 (2.326e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.49529957891384 (1.04798e-09% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.495299578893935 (4.42795e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.495299578886663 (1.61758e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.495299578884336 (5.17658e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567
elapsed time for k point: 0.08226823806762695
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.473866004790979 (0.70844% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.466337931880157 (0.168409% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.464014970093497 (0.052024% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.463224313439719 (0.0177134% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.462870601137268 (0.00792535% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.462724153332467 (0.00328152% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.462635338597414 (0.00199017% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.46258977672777 (0.00102097% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.462576102002991 (0.000306431% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.462571864667408 (9.49527e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.462570546980006 (2.95275e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.462570139814242 (9.12402e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.462570010886544 (2.88909e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.462569981202189 (6.65185e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.462569970590501 (2.37793e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.462569966989759 (8.06876e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.462569964422028 (5.75393e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.462569961021078 (7.62106e-08% change)
large trace change predicted (1.59484e-07%)
linmin: converged after 4 iterations.
iteration 19: trace = 4.462569953904024 (1.59483e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.46256994368324 (2.29034e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.462569934609524 (2.03329e-07% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.462569927927913 (1.49726e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.462569924053902 (8.68112e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.462569921863484 (4.90842e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.462569921105942 (1.69755e-08% change)
linmin: converged after 18 iterations.
iteration 26: trace = 4.462569920846194 (5.82059e-09% change)
linmin: converged after 18 iterations.
iteration 27: trace = 4.462569920755986 (2.02143e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.462569920708029 (1.07465e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 4.462569920679469 (6.39996e-10% change)
linmin: converged after 15 iterations.
iteration 30: trace = 4.462569920665285 (3.17848e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 4.462569920661394 (8.71745e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423
elapsed time for k point: 0.10185956954956055
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.478658555603819 (0.729587% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.469039616062341 (0.215004% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.465022814409604 (0.0899211% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.462099683144574 (0.0654888% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.460047398383897 (0.0460043% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.459144908739186 (0.020237% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.458741257123712 (0.00905263% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.458626601085926 (0.00257152% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.458596309902849 (0.000679386% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.458587755439019 (0.000191865% change)
linmin: converged after 6 iterations.
iteration 11: trace = 4.458585207925357 (5.71372e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.45858449001386 (1.61018e-05% change)
linmin: converged after 24 iterations.
iteration 13: trace = 4.458584277335135 (4.7701e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.458584200806313 (1.71644e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.458584152120826 (1.09195e-06% change)
linmin: converged after 14 iterations.
iteration 16: trace = 4.458584133462662 (4.18477e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.458584124789706 (1.94523e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.458584118093987 (1.50176e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.458584108089635 (2.24384e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.458584093760502 (3.21383e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.458584070135795 (5.2987e-07% change)
large trace change predicted (1.49556e-06%)
linmin: converged after 12 iterations.
iteration 22: trace = 4.458584003454766 (1.49557e-06% change)
large trace change predicted (5.07369e-06%)
linmin: converged after 3 iterations.
iteration 23: trace = 4.458583777248651 (5.0735e-06% change)
near maximum in trace
linmin: converged after 18 iterations.
iteration 24: trace = 4.458459762226113 (0.00278153% change)
linmin: converged after 8 iterations.
iteration 25: trace = 4.458458097222653 (3.73448e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.458456435414942 (3.72732e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.458454780836334 (3.7111e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 4.458453133770327 (3.69425e-05% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.458451492344961 (3.6816e-05% change)
linmin: converged after 5 iterations.
iteration 30: trace = 4.458449853546941 (3.67571e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.458448213826725 (3.67778e-05% change)
linmin: converged after 9 iterations.
iteration 32: trace = 4.458446569444464 (3.68824e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 4.458444916661476 (3.70708e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 4.458443251842857 (3.73408e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 4.458441571511066 (3.76888e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 4.458439872373875 (3.81106e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 4.45843815133906 (3.86017e-05% change)
linmin: converged after 9 iterations.
iteration 38: trace = 4.458436405527778 (3.91575e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 4.458434632293662 (3.97726e-05% change)
linmin: converged after 6 iterations.
iteration 40: trace = 4.458432829221961 (4.04418e-05% change)
linmin: converged after 3 iterations.
iteration 41: trace = 4.458430994161017 (4.11593e-05% change)
linmin: converged after 14 iterations.
iteration 42: trace = 4.458429125248355 (4.19186e-05% change)
linmin: converged after 6 iterations.
iteration 43: trace = 4.458427220938673 (4.27126e-05% change)
linmin: converged after 5 iterations.
iteration 44: trace = 4.458425280015929 (4.35338e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 4.458423301666431 (4.43733e-05% change)
linmin: converged after 8 iterations.
iteration 46: trace = 4.458421285489043 (4.52218e-05% change)
linmin: converged after 5 iterations.
iteration 47: trace = 4.458419231568029 (4.60684e-05% change)
linmin: converged after 6 iterations.
iteration 48: trace = 4.458417140375668 (4.69044e-05% change)
linmin: converged after 5 iterations.
iteration 49: trace = 4.458415012986048 (4.77163e-05% change)
linmin: converged after 9 iterations.
iteration 50: trace = 4.458412850959375 (4.84932e-05% change)
linmin: converged after 5 iterations.
iteration 51: trace = 4.458410656393371 (4.9223e-05% change)
linmin: converged after 10 iterations.
iteration 52: trace = 4.458408431819379 (4.98961e-05% change)
linmin: converged after 15 iterations.
iteration 53: trace = 4.458406180361353 (5.04992e-05% change)
linmin: converged after 7 iterations.
iteration 54: trace = 4.458403905412517 (5.10261e-05% change)
linmin: converged after 7 iterations.
iteration 55: trace = 4.45840161065304 (5.14704e-05% change)
linmin: converged after 16 iterations.
iteration 56: trace = 4.458399300195559 (5.18226e-05% change)
linmin: converged after 9 iterations.
iteration 57: trace = 4.458396978238211 (5.20805e-05% change)
linmin: converged after 5 iterations.
iteration 58: trace = 4.458394649064632 (5.22424e-05% change)
linmin: converged after 11 iterations.
iteration 59: trace = 4.45839231672281 (5.23135e-05% change)
linmin: converged after 5 iterations.
iteration 60: trace = 4.458389985422865 (5.22902e-05% change)
linmin: converged after 6 iterations.
iteration 61: trace = 4.458387658799612 (5.21853e-05% change)
linmin: converged after 7 iterations.
iteration 62: trace = 4.458385340460435 (5.19995e-05% change)
linmin: converged after 5 iterations.
iteration 63: trace = 4.458383033641146 (5.17412e-05% change)
linmin: converged after 4 iterations.
iteration 64: trace = 4.458380740987514 (5.14234e-05% change)
linmin: converged after 5 iterations.
iteration 65: trace = 4.458378464950087 (5.10508e-05% change)
linmin: converged after 9 iterations.
iteration 66: trace = 4.458376207509239 (5.06337e-05% change)
linmin: converged after 6 iterations.
iteration 67: trace = 4.458373970256708 (5.01809e-05% change)
linmin: converged after 7 iterations.
iteration 68: trace = 4.458371754419538 (4.97006e-05% change)
linmin: converged after 6 iterations.
iteration 69: trace = 4.458369560891834 (4.92002e-05% change)
resetting CG direction...
large trace change predicted (0.0705967%)
linmin: converged after 3 iterations.
iteration 70: trace = 4.455218432031194 (0.0707039% change)
linmin: converged after 3 iterations.
iteration 71: trace = 4.454076300097985 (0.0256391% change)
linmin: converged after 3 iterations.
iteration 72: trace = 4.453233408933235 (0.0189258% change)
linmin: converged after 3 iterations.
iteration 73: trace = 4.452750380332034 (0.0108473% change)
linmin: converged after 3 iterations.
iteration 74: trace = 4.45248621999205 (0.0059327% change)
linmin: converged after 3 iterations.
iteration 75: trace = 4.45238135297291 (0.00235527% change)
linmin: converged after 4 iterations.
iteration 76: trace = 4.452332140018962 (0.00110532% change)
linmin: converged after 3 iterations.
iteration 77: trace = 4.452312679335096 (0.000437091% change)
linmin: converged after 3 iterations.
iteration 78: trace = 4.452300707160372 (0.000268898% change)
linmin: converged after 3 iterations.
iteration 79: trace = 4.452288391133961 (0.000276622% change)
linmin: converged after 4 iterations.
iteration 80: trace = 4.452272801291765 (0.000350154% change)
linmin: converged after 4 iterations.
iteration 81: trace = 4.452249228852717 (0.000529449% change)
linmin: converged after 3 iterations.
iteration 82: trace = 4.452204258025057 (0.00101007% change)
linmin: converged after 4 iterations.
iteration 83: trace = 4.452119844389218 (0.00189601% change)
linmin: converged after 3 iterations.
iteration 84: trace = 4.45203054303226 (0.00200584% change)
linmin: converged after 5 iterations.
iteration 85: trace = 4.451975522790121 (0.00123585% change)
linmin: converged after 3 iterations.
iteration 86: trace = 4.451956336683962 (0.000430958% change)
linmin: converged after 3 iterations.
iteration 87: trace = 4.451951182947111 (0.000115763% change)
linmin: converged after 3 iterations.
iteration 88: trace = 4.45194992695437 (2.82122e-05% change)
linmin: converged after 2 iterations.
iteration 89: trace = 4.451949633717591 (6.5867e-06% change)
linmin: converged after 2 iterations.
iteration 90: trace = 4.451949555039655 (1.76727e-06% change)
linmin: converged after 2 iterations.
iteration 91: trace = 4.451949527224505 (6.24786e-07% change)
linmin: converged after 20 iterations.
iteration 92: trace = 4.451949519989437 (1.62515e-07% change)
linmin: converged after 3 iterations.
iteration 93: trace = 4.451949518321356 (3.74686e-08% change)
linmin: converged after 3 iterations.
iteration 94: trace = 4.451949517531383 (1.77444e-08% change)
linmin: converged after 3 iterations.
iteration 95: trace = 4.45194951701959 (1.14959e-08% change)
linmin: converged after 11 iterations.
iteration 96: trace = 4.451949516565071 (1.02094e-08% change)
linmin: converged after 2 iterations.
iteration 97: trace = 4.451949516311299 (5.70025e-09% change)
linmin: converged after 2 iterations.
iteration 98: trace = 4.45194951618584 (2.81806e-09% change)
linmin: converged after 3 iterations.
iteration 99: trace = 4.451949516111402 (1.67202e-09% change)
large trace change predicted (3.42048e-09%)
linmin: converged after 3 iterations.
iteration 100: trace = 4.451949515959129 (3.42038e-09% change)
linmin: converged after 5 iterations.
iteration 101: trace = 4.45194951567253 (6.43759e-09% change)
linmin: converged after 3 iterations.
iteration 102: trace = 4.451949515253565 (9.41083e-09% change)
linmin: converged after 3 iterations.
iteration 103: trace = 4.451949514776373 (1.07187e-08% change)
linmin: converged after 2 iterations.
iteration 104: trace = 4.451949514168423 (1.36558e-08% change)
linmin: converged after 4 iterations.
iteration 105: trace = 4.451949513641425 (1.18375e-08% change)
linmin: converged after 3 iterations.
iteration 106: trace = 4.45194951344526 (4.40627e-09% change)
linmin: converged after 12 iterations.
iteration 107: trace = 4.451949513374773 (1.5833e-09% change)
linmin: converged after 2 iterations.
iteration 108: trace = 4.451949513356691 (4.06149e-10% change)
linmin: converged after 4 iterations.
iteration 109: trace = 4.451949513352739 (8.87789e-11% change)
Finished solving for bands 2 to 8 after 109 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116
elapsed time for k point: 0.29201316833496094
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0>
Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048%
Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546%
Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162%
total elapsed time for run: 1.950716495513916
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.45, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.002065896987915039
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...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 9.345806662498543 (196.355% change)
linmin: converged after 7 iterations.
iteration 2: trace = 3.455682105603809 (92.0225% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.964925980590619 (15.2869% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.881973434637948 (2.83749% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.868382752776488 (0.47269% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.865183812544309 (0.111586% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.863590833741099 (0.0556132% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.862863745162171 (0.025394% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.862718556173162 (0.00507159% change)
linmin: converged after 7 iterations.
iteration 10: trace = 2.862686082422818 (0.00113437% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.862646034309393 (0.00139898% change)
linmin: converged after 5 iterations.
iteration 12: trace = 2.862568116843556 (0.00272191% change)
linmin: converged after 5 iterations.
iteration 13: trace = 2.862522529156347 (0.00159256% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.862507023053621 (0.000541695% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.8624970244307 (0.000349297% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.862491945372417 (0.000177435% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.862490865834021 (3.77132e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.8624907260452 (4.88347e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.862490708248829 (6.21709e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.862490703921476 (1.51174e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.862490700442617 (1.21533e-07% change)
linmin: converged after 13 iterations.
iteration 22: trace = 2.862490696942737 (1.22267e-07% change)
linmin: converged after 3 iterations.
iteration 23: trace = 2.862490694617053 (8.12468e-08% change)
linmin: converged after 8 iterations.
iteration 24: trace = 2.862490692196367 (8.45658e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 2.862490689635969 (8.94465e-08% change)
linmin: converged after 6 iterations.
iteration 26: trace = 2.862490688812153 (2.87797e-08% change)
linmin: converged after 14 iterations.
iteration 27: trace = 2.86249068865775 (5.39401e-09% change)
linmin: converged after 16 iterations.
iteration 28: trace = 2.862490688633992 (8.29988e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.862490688625448 (2.98475e-10% change)
linmin: converged after 9 iterations.
iteration 30: trace = 2.862490688620294 (1.80041e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.86249068861899 (4.55494e-11% change)
Finished solving for bands 2 to 8 after 31 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224
elapsed time for k point: 0.08467841148376465
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.859266533744322 (1.54925% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.842743885401787 (0.579538% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.837677720077269 (0.178373% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.836732000258409 (0.0333328% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.836186496133744 (0.0192319% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.835585889967723 (0.0211788% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.83532925090223 (0.00905106% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.835307580260289 (0.000764311% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.835302898412854 (0.000165127% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.835301638980056 (4.44197e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.835301372354519 (9.40378e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.835301336476825 (1.26539e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.835301332836303 (1.284e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.835301331052824 (6.29026e-08% change)
linmin: converged after 9 iterations.
iteration 15: trace = 2.835301329637784 (4.99079e-08% change)
linmin: converged after 25 iterations.
iteration 16: trace = 2.835301328974365 (2.33985e-08% change)
linmin: converged after 6 iterations.
iteration 17: trace = 2.835301328638409 (1.18491e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 2.835301328502631 (4.78884e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 2.83530132848065 (7.75249e-10% change)
linmin: converged after 8 iterations.
iteration 20: trace = 2.835301328478701 (6.87443e-11% change)
Finished solving for bands 1 to 8 after 20 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138
elapsed time for k point: 0.06652045249938965
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 2.801047583435341 (1.13558% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.796644378333248 (0.157322% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.7959288782003 (0.0255875% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.795770481181542 (0.00566543% change)
linmin: converged after 9 iterations.
iteration 5: trace = 2.795670517948602 (0.00357558% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.795637812105357 (0.00116988% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.795631405060591 (0.00022918% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.795630929521838 (1.70101e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.795630880408565 (1.75679e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.795630872968428 (2.66134e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.795630871760073 (4.3223e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.795630871631208 (4.60951e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.79563087161296 (6.52735e-10% change)
linmin: converged after 9 iterations.
iteration 14: trace = 2.795630871602821 (3.62689e-10% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.795630871598374 (1.59058e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.795630871597671 (2.5162e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031
elapsed time for k point: 0.05348634719848633
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 9 iterations.
iteration 1: trace = 2.774998560215885 (0.956829% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.772244894227236 (0.0992805% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.771711795790375 (0.0192317% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.771603071908644 (0.0039227% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.77157333986107 (0.00107274% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.771567875220617 (0.000197168% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.771565848864933 (7.31123e-05% change)
linmin: converged after 23 iterations.
iteration 8: trace = 2.771565436133743 (1.48916e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.771565393911649 (1.5234e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.771565390637125 (1.18147e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.771565390406327 (8.32735e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.771565390385135 (7.6462e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 2.771565390382112 (1.09069e-10% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.771565390381668 (1.6007e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964
elapsed time for k point: 0.047247886657714844
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 2.76986289767915 (0.914068% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.7662366764232 (0.131003% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.764990799331567 (0.0450488% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.764690915212057 (0.0108463% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.764623520243719 (0.00243773% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.764618233702739 (0.000191221% change)
linmin: converged after 3 iterations.
iteration 7: trace = 2.764617446459626 (2.84757e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 2.764617148488824 (1.0778e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.764617097736615 (1.83578e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.764617094306763 (1.24062e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.764617094122716 (6.65725e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.764617094109743 (4.69258e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.76461709410778 (7.09999e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008
elapsed time for k point: 0.044260501861572266
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 2.776059205793774 (0.931493% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.769429886165129 (0.239089% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.766409470118905 (0.109122% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.76565530954431 (0.0272651% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.765522422981642 (0.004805% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.765515118332745 (0.000264133% change)
linmin: converged after 10 iterations.
iteration 7: trace = 2.765514720941248 (1.43695e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.765514678058566 (1.55062e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.765514659876092 (6.57472e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.765514655313923 (1.64966e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.765514654640203 (2.43615e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.765514654454889 (6.7009e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.76551465439036 (2.33334e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.765514654376136 (5.14325e-10% change)
linmin: converged after 2 iterations.
iteration 15: trace = 2.765514654374652 (5.36501e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954
elapsed time for k point: 0.05034685134887695
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.767583432193024 (0.36764% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.766063309127015 (0.0549411% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.76572899258955 (0.0120871% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.765669394833952 (0.00215489% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.765658289765336 (0.000401534% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.765656674101838 (5.84188e-05% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.765656191162027 (1.7462e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.765656108679672 (2.98238e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.765656098612789 (3.63996e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.765656097543772 (3.86533e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.765656097432821 (4.01172e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.765656097370315 (2.26008e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.76565609734533 (9.03415e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 2.765656097342629 (9.76443e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945
elapsed time for k point: 0.04724550247192383
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.76828002496966 (0.361641% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.766861173313224 (0.051267% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.76653878249722 (0.0116525% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.766463876994901 (0.00270759% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.766444675349486 (0.000694089% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.766441155889404 (0.00012722% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.766440488279491 (2.41324e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.766440405119586 (3.00603e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.766440395785974 (3.37387e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.766440394337008 (5.23766e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.766440393560162 (2.80811e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.76644039313326 (1.54315e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.766440393061447 (2.59585e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.76644039305401 (2.68819e-10% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.766440393053365 (2.33086e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864
elapsed time for k point: 0.05011630058288574
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.770564095893328 (0.348247% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.76931008042447 (0.0452723% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.769019050829584 (0.0105097% change)
linmin: converged after 9 iterations.
iteration 4: trace = 2.768934648753342 (0.00304813% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.768909972394437 (0.00089119% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.76890656309236 (0.000123128% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.768906106159755 (1.65023e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.76890604289365 (2.28488e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.76890602455087 (6.62456e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.768906007868233 (6.02499e-07% change)
linmin: converged after 9 iterations.
iteration 11: trace = 2.768905997652202 (3.68955e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.768905996400177 (4.52173e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.768905996267474 (4.79261e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.768905996251331 (5.83013e-10% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.768905996249788 (5.57336e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554
elapsed time for k point: 0.05064988136291504
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.775951451394892 (0.330999% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.774883098720279 (0.0384934% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.774640612554751 (0.00873899% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.77456099507157 (0.00286951% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.774534593258473 (0.000951572% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.774531225311689 (0.000121388% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.77453070076803 (1.89057e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.7745303594983 (1.23001e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.774529863123143 (1.78904e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.774529580681455 (1.01798e-05% change)
linmin: converged after 17 iterations.
iteration 11: trace = 2.774529533963527 (1.68381e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.774529531015568 (1.06251e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.774529530846425 (6.09627e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.774529530829859 (5.97101e-10% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.774529530826867 (1.07816e-10% change)
linmin: converged after 6 iterations.
iteration 16: trace = 2.774529530826193 (2.4313e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777
elapsed time for k point: 0.05360054969787598
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 2.786010010558214 (0.314216% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.785094864088619 (0.0328533% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.784890622949262 (0.00733363% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.784815529272439 (0.0026965% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.784783018960979 (0.00116742% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.784775033132307 (0.000286767% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.784767387040601 (0.000274568% change)
large trace change predicted (0.00145949%)
linmin: converged after 4 iterations.
iteration 8: trace = 2.784726863705416 (0.00145519% change)
large trace change predicted (0.00560839%)
linmin: converged after 6 iterations.
iteration 9: trace = 2.784576806706098 (0.00538872% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.784434566582967 (0.00510827% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.784406387945227 (0.00101201% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.784404398152179 (7.1462e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.784404189729956 (7.48534e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.78440415106141 (1.38875e-06% change)
linmin: converged after 25 iterations.
iteration 15: trace = 2.784404143391648 (2.75454e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.784404142114112 (4.58818e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 2.784404141807702 (1.10045e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 2.784404141512631 (1.05973e-08% change)
large trace change predicted (3.91071e-08%)
linmin: converged after 13 iterations.
iteration 19: trace = 2.784404140423732 (3.91071e-08% change)
linmin: converged after 19 iterations.
iteration 20: trace = 2.784404138303259 (7.61553e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 2.78440413567283 (9.44701e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.784404132526765 (1.12989e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 2.784404131138651 (4.98532e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 2.784404130765973 (1.33845e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 2.784404130704082 (2.22279e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.784404130699125 (1.78041e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.784404130698568 (1.99843e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015
elapsed time for k point: 0.08881855010986328
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 7 iterations.
iteration 1: trace = 2.77275399721332 (1.31493% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.767398262717903 (0.193343% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.766394048706148 (0.0362939% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.76629435931601 (0.00360365% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.766278312431585 (0.000580088% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.76627605571663 (8.15795e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.766275726375514 (1.19056e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.766275697025943 (1.06098e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.766275694526924 (9.03387e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.76627569428374 (8.79103e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.766275694243459 (1.45613e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.766275694206311 (1.34287e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.766275694188479 (6.4462e-10% change)
linmin: converged after 6 iterations.
iteration 14: trace = 2.766275694185662 (1.01845e-10% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.766275694185344 (1.14944e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772
elapsed time for k point: 0.05037117004394531
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 2.77149286581312 (1.30013% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.766681096222237 (0.173767% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.765870731016941 (0.0292944% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.76578435790659 (0.00312287% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.76576896412909 (0.000556581% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.76576691356746 (7.41408e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.765766616476074 (1.07417e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.765766581509603 (1.26426e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 2.765766575906306 (2.02595e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.765766575033984 (3.154e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.765766574972649 (2.21763e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.765766574968937 (1.34217e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.76576657496863 (1.10951e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206
elapsed time for k point: 0.043941497802734375
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 2.791470836862398 (1.28311% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.787458714099723 (0.143831% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.78692603308995 (0.0191117% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.786856117715398 (0.00250872% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.786833391429703 (0.000815484% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.786827001476857 (0.000229291% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.786825618414127 (4.96286e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.786825460368142 (5.67118e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.786825447118284 (4.75446e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.786825446092698 (3.68012e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.786825446011258 (2.92231e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.786825446005849 (1.94108e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.786825446005419 (1.54254e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064
elapsed time for k point: 0.04400372505187988
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 8 iterations.
iteration 1: trace = 2.834933245505366 (1.30701% change)
linmin: converged after 3 iterations.
iteration 2: trace = 2.830403965065332 (0.159894% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.829621813628175 (0.0276377% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.829419384307018 (0.00715419% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.829342538493453 (0.00271599% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.82930572621851 (0.0013011% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.829276325559083 (0.00103915% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.829270956342432 (0.000189774% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.829270335813132 (2.19325e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 2.829270284334401 (1.81951e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.829270280435277 (1.37814e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.829270280036006 (1.41121e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.829270279947548 (3.12655e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.829270279913449 (1.20522e-09% change)
linmin: converged after 11 iterations.
iteration 15: trace = 2.82927027989919 (5.03975e-10% change)
linmin: converged after 7 iterations.
iteration 16: trace = 2.829270279889812 (3.31473e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.829270279885793 (1.42035e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.829270279885341 (1.59631e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451
elapsed time for k point: 0.06055569648742676
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 7 iterations.
iteration 1: trace = 2.886141685835956 (1.47203% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.874303792321654 (0.411006% change)
linmin: converged after 12 iterations.
iteration 3: trace = 2.867461048283285 (0.23835% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.86397233934153 (0.121739% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.863259526579745 (0.0248921% change)
linmin: converged after 3 iterations.
iteration 6: trace = 2.863087260462697 (0.00601661% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.862987569164019 (0.00348201% change)
large trace change predicted (0.0075076%)
linmin: converged after 5 iterations.
iteration 8: trace = 2.862770998312602 (0.00756479% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.862591893269431 (0.00625655% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.862540772328795 (0.00178584% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.862503519861274 (0.00130139% change)
linmin: converged after 10 iterations.
iteration 12: trace = 2.862492614384059 (0.000380978% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.862491127238346 (5.19528e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.862490902676318 (7.84499e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.862490848354844 (1.8977e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.862490815153666 (1.15987e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.862490774134773 (1.43298e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 2.862490747516468 (9.299e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 2.862490726725277 (7.26332e-07% change)
linmin: converged after 28 iterations.
iteration 20: trace = 2.862490701040741 (8.97279e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.862490690405778 (3.71528e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.862490688920428 (5.18901e-08% change)
linmin: converged after 8 iterations.
iteration 23: trace = 2.86249068872468 (6.83836e-09% change)
linmin: converged after 19 iterations.
iteration 24: trace = 2.862490688677492 (1.64851e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 2.862490688650855 (9.30535e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.86249068864038 (3.65962e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 2.862490688636751 (1.2675e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.862490688630886 (2.0491e-10% change)
linmin: converged after 5 iterations.
iteration 29: trace = 2.862490688622828 (2.81503e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 2.862490688619476 (1.171e-10% change)
linmin: converged after 8 iterations.
iteration 31: trace = 2.86249068861861 (3.02369e-11% change)
Finished solving for bands 2 to 8 after 31 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224
.elapsed time for k point: 0.08486819267272949
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0>
Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834%
Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714%
Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674%
Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754%
Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024%
Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733%
total elapsed time for run: 0.9239344596862793
done
/tmp/meepg15Lzl/test_tri_holes-0: 2.88s
/tmp/meepg15Lzl/test_tri_rods-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.001445770263671875
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 13.46696798403983 (196.169% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.440830280549287 (84.8976% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.843527011222895 (11.6158% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.668700885441982 (3.67582% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.608869323792538 (1.28981% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.588596019692742 (0.440845% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.580741637908754 (0.171318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.578987295163937 (0.0383056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.578322878448064 (0.0145112% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.578003942463015 (0.00696646% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.577929653765463 (0.00162274% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.577907037545194 (0.000494028% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.577897255801734 (0.000213673% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.577895086336259 (4.739e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.577894696365646 (8.51856e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.57789463693543 (1.2982e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.577894629221514 (1.68504e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.577894627568718 (3.61038e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.577894626939212 (1.3751e-08% change)
linmin: converged after 5 iterations.
iteration 20: trace = 4.577894626693606 (5.36505e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 4.57789462661256 (1.77038e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.577894626584484 (6.1328e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.577894626574822 (2.11068e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.577894626572792 (4.43323e-11% change)
Finished solving for bands 2 to 8 after 24 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.0664827823638916
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.573594159720884 (1.05882% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.5533624235809 (0.44334% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.549198778889174 (0.0914829% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.547235691259341 (0.0431617% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.546720480078164 (0.0113308% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.546675795887479 (0.000982783% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.546668812199723 (0.0001536% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.546667474444716 (2.94228e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.546667093982199 (8.36794e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.546667026314634 (1.48829e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.546667010167314 (3.55146e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.546667005947763 (9.28054e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.546667004173656 (3.90199e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.546667003528526 (1.41891e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.546667003425869 (2.25786e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.546667003411072 (3.25448e-10% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.546667003406389 (1.02987e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.546667003404457 (4.25075e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
elapsed time for k point: 0.06025815010070801
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.480154501469817 (1.0243% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.462951577211212 (0.384719% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.458417513622179 (0.101645% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.456998073935351 (0.0318424% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.456802317102498 (0.00439222% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.456776714934251 (0.000574453% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.456772279362191 (9.95243e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.456771848143082 (9.67559e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.456771799201276 (1.41416e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.456771797345358 (4.16427e-08% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.456771796664019 (1.52877e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.456771796571513 (2.07564e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.456771796564526 (1.56759e-10% change)
linmin: converged after 6 iterations.
iteration 15: trace = 4.456771796562712 (4.07144e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
elapsed time for k point: 0.05054759979248047
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.372440119410637 (0.691847% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.366282685668829 (0.140923% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.364947654944967 (0.0305806% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.364626763463701 (0.00735182% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.364572744594429 (0.00123766% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.364566107346524 (0.000152071% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.364565316740354 (1.81142e-05% change)
linmin: converged after 15 iterations.
iteration 8: trace = 4.364565239126184 (1.77828e-06% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.364565234500086 (1.05992e-07% change)
linmin: converged after 19 iterations.
iteration 10: trace = 4.364565233724115 (1.77789e-08% change)
linmin: converged after 12 iterations.
iteration 11: trace = 4.364565233381509 (7.84974e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.364565233306733 (1.71325e-09% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.364565233299627 (1.62798e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.364565233298253 (3.14811e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
elapsed time for k point: 0.04763150215148926
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.308394919604844 (0.552361% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.304883211984182 (0.0815417% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.304231324865016 (0.0151441% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.304101774804951 (0.00300988% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.304072509722035 (0.000679937% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
linmin: converged after 18 iterations.
iteration 7: trace = 4.304069984297116 (3.09852e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.304069968915972 (3.57363e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.304069965945503 (6.90153e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.304069964779028 (2.71017e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.304069964479558 (6.95785e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.304069964440695 (9.02919e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.304069964437598 (7.1957e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
elapsed time for k point: 0.044297218322753906
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.287294007238772 (0.514399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.28412496132847 (0.0739445% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283595116492537 (0.0123684% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.283502303118704 (0.00216674% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283478596024279 (0.000553453% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.28347715445874 (3.36541e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.28347707781069 (1.78939e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283477070330029 (1.7464e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283477065633831 (3.18914e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.283477065618207 (3.64749e-10% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.283477065616427 (4.15529e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
elapsed time for k point: 0.04422903060913086
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.276566747825645 (0.530593% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.266858088831402 (0.227278% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.264882331994834 (0.0463154% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.264548458692773 (0.00782874% change)
linmin: converged after 15 iterations.
iteration 5: trace = 4.264488730548915 (0.00140058% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.264476449097829 (0.000287994% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.264474782181724 (3.90884e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.264474642738403 (3.26988e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.264474631203496 (1.26256e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.264474631199773 (8.73084e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
elapsed time for k point: 0.041016578674316406
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.232489072565515 (0.358169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.229105412374748 (0.0799769% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.228655882204029 (0.01063% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.228604967100096 (0.00120406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.228597156343835 (0.000184713% change)
linmin: converged after 15 iterations.
iteration 6: trace = 4.228595847507817 (3.0952e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.228595668484542 (4.23363e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.228595652361874 (3.09286e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.228595652271399 (2.1396e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.228595652264812 (1.55766e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.228595652264469 (8.10758e-12% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
elapsed time for k point: 0.0408785343170166
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.198038763849723 (0.248355% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.196704784159248 (0.0317813% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.196585228731935 (0.00284883% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.196578318037076 (0.000164674% change)
linmin: converged after 11 iterations.
iteration 5: trace = 4.196577861660908 (1.0875e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.196577824465235 (8.86333e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.196577821831919 (6.27491e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.196577821279777 (1.3157e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.196577821233547 (1.10163e-09% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.19657782122971 (9.14088e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
elapsed time for k point: 0.03466224670410156
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.176560952862595 (0.20622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.175731928735249 (0.0198514% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.175658188677838 (0.00176593% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.175652343488816 (0.000139983% change)
linmin: converged after 19 iterations.
iteration 5: trace = 4.175651823639799 (1.24495e-05% change)
linmin: converged after 36 iterations.
iteration 6: trace = 4.175651765087074 (1.40224e-06% change)
linmin: converged after 25 iterations.
iteration 7: trace = 4.175651761832761 (7.79355e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.175651761361389 (1.12886e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.175651761335722 (6.14694e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.175651761333511 (5.29421e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
elapsed time for k point: 0.03480362892150879
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.169192632974811 (0.188262% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168494135847975 (0.0167552% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.168418925223787 (0.00180428% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16841215172734 (0.000162496% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.168411689651685 (2.35733e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.168411689612854 (9.31558e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.168411689609142 (8.90435e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
elapsed time for k point: 0.031210899353027344
Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b01.z.tm.h5...
Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b02.z.tm.h5...
Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b03.z.tm.h5...
Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b04.z.tm.h5...
Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b05.z.tm.h5...
Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b06.z.tm.h5...
Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881
Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b07.z.tm.h5...
Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096
Outputting fields to /tmp/meepg15Lzl/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.
iteration 1: trace = 4.201218407861227 (0.720819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.198256255957312 (0.0705318% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.197890564842538 (0.00871093% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.197857649510743 (0.000784095% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.197854429378011 (7.6709e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.197854075525583 (8.42936e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.197854052380287 (5.5136e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.197854050317016 (2.34224e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.197854050309859 (1.7049e-10% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.1978540503093 (1.33083e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
elapsed time for k point: 0.03785586357116699
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.288243522338974 (0.732668% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.283958408011073 (0.099977% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283371588299238 (0.013699% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.283281438838011 (0.00210466% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283267824693608 (0.000317844% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.28326657937046 (2.90741e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.283266497834247 (1.9036e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283266490102651 (1.80507e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283266489093189 (2.35676e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.283266489000646 (2.16059e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.283266488991158 (2.21502e-10% change)
linmin: converged after 11 iterations.
iteration 12: trace = 4.283266488990683 (1.10938e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
elapsed time for k point: 0.04105377197265625
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.420129679060165 (0.818903% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.412260674164763 (0.178185% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.410633634426059 (0.0368822% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.410197926814338 (0.00987906% change)
linmin: converged after 13 iterations.
iteration 5: trace = 4.410114427040234 (0.00189335% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.410103889016636 (0.000238952% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.410102421711938 (3.32714e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.410102293698956 (2.90272e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.410102277309537 (3.71634e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.410102274815385 (5.65554e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.410102274561973 (5.74616e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.410102274546353 (3.54196e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.410102274545237 (2.53155e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
elapsed time for k point: 0.04426407814025879
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.563328932101673 (1.027% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.544560398258617 (0.412138% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.537741031323376 (0.150168% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.535260913319919 (0.0546703% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534595991553309 (0.0146622% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.534531477384966 (0.00142272% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.534520999244495 (0.000231075% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534518657738526 (5.16374e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.534517831347481 (1.82245e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.534517644423108 (9.03518e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.534517627208908 (3.79626e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.534517623618732 (7.91744e-08% change)
linmin: converged after 8 iterations.
iteration 14: trace = 4.534517622906264 (1.57121e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.534517622781556 (2.7502e-09% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.53451762276076 (4.58611e-10% change)
linmin: converged after 8 iterations.
iteration 17: trace = 4.5345176227572 (7.85245e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
elapsed time for k point: 0.05715775489807129
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.620932082276254 (1.44492% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.585858477331197 (0.761907% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.579350993234815 (0.142004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.578211771379737 (0.0248805% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.577956393189929 (0.00557828% change)
linmin: converged after 16 iterations.
iteration 6: trace = 4.577915173102078 (0.000900408% change)
linmin: converged after 8 iterations.
iteration 7: trace = 4.577900193794617 (0.000327209% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.577895724955983 (9.76177e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.577894738564553 (2.15468e-05% change)
linmin: converged after 10 iterations.
iteration 10: trace = 4.577894647524367 (1.98869e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.577894631981888 (3.39512e-07% change)
linmin: converged after 7 iterations.
iteration 12: trace = 4.577894627560067 (9.65907e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.577894626684431 (1.91275e-08% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.577894626586341 (2.1427e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.577894626573657 (2.77072e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.577894626572483 (2.56293e-11% change)
Finished solving for bands 2 to 8 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.044869422912597656
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0>
Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506%
Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974%
Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144%
Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158%
Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939%
total elapsed time for run: 0.7380962371826172
done
Read lattice vectors
Read Bloch wavevector (-0.333333, 0.333333, 0)
Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
Input data is rank 2, size 32x32x1.
Output data 96x83x1
real part range: -1.03932 .. 1.03493
imag part range: -1.08496 .. 1.08496
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.0014796257019042969
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...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 17.36160904168523 (195.027% change)
linmin: converged after 7 iterations.
iteration 2: trace = 7.562476866233164 (78.6318% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.689988797283942 (12.2433% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.443872873233596 (3.74781% change)
linmin: converged after 7 iterations.
iteration 5: trace = 6.353949184309336 (1.4053% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.308924004687213 (0.711137% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.270403953073519 (0.612434% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.245962911349093 (0.390545% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.231123952690525 (0.237859% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.222648387566821 (0.136112% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.218459085006945 (0.0673461% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.215474845128731 (0.0480015% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.213476033896002 (0.0321638% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.211799733839418 (0.0269821% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.210166322657484 (0.0262988% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.208765013189226 (0.0225673% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.20745864212499 (0.021043% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.206496965898328 (0.0154935% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.205910205793511 (0.00945441% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.205612235735023 (0.00480151% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.205499078041604 (0.00182349% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.205434445474109 (0.00104154% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.205390974318142 (0.000700536% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.205367423163241 (0.000379528% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.205356899945473 (0.000169583% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.205352210725811 (7.55673e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.205348781520899 (5.52621e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 6.205345652519164 (5.04243e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.205343137714785 (4.05264e-05% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.205341359594259 (2.86547e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.205340285757588 (1.7305e-05% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.20533940186276 (1.42441e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 6.205338538782249 (1.39087e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 6.205338005701472 (8.59068e-06% change)
linmin: converged after 12 iterations.
iteration 35: trace = 6.205337792804401 (3.43087e-06% change)
linmin: converged after 2 iterations.
iteration 36: trace = 6.205337727926739 (1.04551e-06% change)
linmin: converged after 2 iterations.
iteration 37: trace = 6.205337700663021 (4.39359e-07% change)
linmin: converged after 2 iterations.
iteration 38: trace = 6.205337682075854 (2.99535e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 6.205337670235149 (1.90815e-07% change)
linmin: converged after 16 iterations.
iteration 40: trace = 6.205337663603182 (1.06875e-07% change)
linmin: converged after 17 iterations.
iteration 41: trace = 6.205337659444976 (6.70102e-08% change)
linmin: converged after 2 iterations.
iteration 42: trace = 6.205337656270723 (5.11536e-08% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.205337653590539 (4.31916e-08% change)
linmin: converged after 2 iterations.
iteration 44: trace = 6.205337651674612 (3.08755e-08% change)
linmin: converged after 11 iterations.
iteration 45: trace = 6.205337650112214 (2.51783e-08% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.205337648922311 (1.91755e-08% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.205337648157427 (1.23262e-08% change)
linmin: converged after 11 iterations.
iteration 48: trace = 6.205337647646608 (8.23193e-09% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.205337647357136 (4.66488e-09% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.205337647220228 (2.2063e-09% change)
linmin: converged after 7 iterations.
iteration 51: trace = 6.205337647170962 (7.93921e-10% change)
linmin: converged after 5 iterations.
iteration 52: trace = 6.205337647152469 (2.98014e-10% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.205337647143446 (1.45421e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.205337647136502 (1.119e-10% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.20533764713018 (1.01881e-10% change)
linmin: converged after 2 iterations.
iteration 56: trace = 6.205337647125866 (6.95189e-11% change)
Finished solving for bands 2 to 8 after 56 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681
elapsed time for k point: 0.152801513671875
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.158539024420285 (1.66275% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.098032659807416 (0.987329% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.081903131798306 (0.264854% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.0743767056313 (0.123828% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.072216470542617 (0.0355694% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.071224930874287 (0.0163305% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.070791668858648 (0.00713657% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.070592820913727 (0.00327554% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.070504835682327 (0.00144938% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.070476174703718 (0.000472136% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.070466776951306 (0.000154811% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.070462362656812 (7.27176e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.070460758493462 (2.64257e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.070460318551028 (7.24727e-06% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.070460193420171 (2.06131e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.070460137715083 (9.17642e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.070460108900737 (4.74665e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.070460095276794 (2.2443e-07% change)
linmin: converged after 13 iterations.
iteration 19: trace = 6.070460086895674 (1.38064e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.070460079863565 (1.15841e-07% change)
linmin: converged after 21 iterations.
iteration 21: trace = 6.070460075401996 (7.34964e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.07046007280923 (4.27112e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 6.070460071630645 (1.94151e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.070460071141092 (8.06452e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.070460070886771 (4.18948e-09% change)
linmin: converged after 17 iterations.
iteration 26: trace = 6.070460070770777 (1.9108e-09% change)
linmin: converged after 19 iterations.
iteration 27: trace = 6.070460070719212 (8.49426e-10% change)
linmin: converged after 15 iterations.
iteration 28: trace = 6.070460070698457 (3.41915e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.070460070686249 (2.01105e-10% change)
linmin: converged after 6 iterations.
iteration 30: trace = 6.070460070677964 (1.36479e-10% change)
linmin: converged after 7 iterations.
iteration 31: trace = 6.070460070673303 (7.67843e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151
elapsed time for k point: 0.102691650390625
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.879585450105075 (0.610248% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.864179164990823 (0.262374% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.859434248091473 (0.0809463% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.85734339458572 (0.0356899% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.856604562107861 (0.0126146% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.856366774447974 (0.00406024% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.856287811142867 (0.00134834% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.8562580469796 (0.000508244% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.856247804313772 (0.000174901% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.85624293285553 (8.3184e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.856240727525849 (3.76578e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.856239109988362 (2.76208e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.856238145767128 (1.64649e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.856237866910514 (4.7617e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.856237777124198 (1.53317e-06% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.856237751868005 (4.3127e-07% change)
linmin: converged after 14 iterations.
iteration 17: trace = 5.856237743987796 (1.34561e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.856237740787504 (5.46476e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.856237739089932 (2.89874e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.856237737682887 (2.40264e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.856237736546375 (1.94069e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.856237735790081 (1.29143e-08% change)
linmin: converged after 12 iterations.
iteration 23: trace = 5.856237735217746 (9.77308e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.856237734948408 (4.59917e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.85623773479514 (2.61718e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.856237734734318 (1.03858e-09% change)
linmin: converged after 7 iterations.
iteration 27: trace = 5.8562377347143 (3.4182e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.856237734707856 (1.10047e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.856237734706174 (2.87099e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298
elapsed time for k point: 0.09614682197570801
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.688335296912762 (0.327793% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.682021917679271 (0.11105% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.680153605103612 (0.0328865% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.679577245559956 (0.0101474% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.679381210031131 (0.00345165% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.679338397146944 (0.000753833% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.679327009082156 (0.000200518% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.679321501429015 (9.69773e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.679318695796002 (4.94009e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.679317068872693 (2.86465e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.679316526996136 (9.54123e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.67931632497745 (3.5571e-06% change)
linmin: converged after 24 iterations.
iteration 13: trace = 5.679316252366132 (1.27852e-06% change)
linmin: converged after 8 iterations.
iteration 14: trace = 5.679316236097754 (2.8645e-07% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.679316231672791 (7.79137e-08% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.679316229977098 (2.98574e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.679316229108179 (1.52997e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.679316228341648 (1.34969e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.679316227585913 (1.33068e-08% change)
linmin: converged after 11 iterations.
iteration 20: trace = 5.679316226988038 (1.05272e-08% change)
linmin: converged after 12 iterations.
iteration 21: trace = 5.679316226705491 (4.97502e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.679316226637818 (1.19157e-09% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.679316226609474 (4.99066e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.679316226600841 (1.52009e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.679316226598069 (4.88088e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117
elapsed time for k point: 0.08314919471740723
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 5.572181213523258 (0.241977% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.568600925705777 (0.0642735% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.567657736853494 (0.0169391% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.567444170135015 (0.00383592% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.56737762049015 (0.00119534% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.567363512847024 (0.000253399% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.567360010913097 (6.29011e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.567358378549423 (2.93203e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567357563479846 (1.46402e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.567357125846613 (7.8607e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567356991067824 (2.42088e-06% change)
linmin: converged after 10 iterations.
iteration 12: trace = 5.56735695750588 (6.02834e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567356948843483 (1.55593e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.56735694679832 (3.67349e-08% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.567356946093132 (1.26665e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.567356945636325 (8.2051e-09% change)
linmin: converged after 23 iterations.
iteration 17: trace = 5.567356945304206 (5.96547e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.567356944950225 (6.35815e-09% change)
linmin: converged after 13 iterations.
iteration 19: trace = 5.567356944690506 (4.66504e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.567356944584955 (1.89588e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.567356944550361 (6.21382e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567356944542208 (1.46436e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.567356944539206 (5.39222e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107
elapsed time for k point: 0.07690262794494629
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 5.53273810674195 (0.208662% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.530094842108783 (0.0477864% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.529443009715253 (0.0117877% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.529317903820751 (0.00226257% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.529282320152151 (0.000643547% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.529274170469025 (0.000147391% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.529272236624154 (3.49747e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.529271606108956 (1.14032e-05% change)
linmin: converged after 26 iterations.
iteration 9: trace = 5.529271436020496 (3.07615e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.529271373878374 (1.12388e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.529271337491399 (6.58079e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.529271320740965 (3.02941e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.529271315549563 (9.38894e-08% change)
linmin: converged after 6 iterations.
iteration 14: trace = 5.529271314495562 (1.90622e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.529271314233555 (4.73853e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.529271314081587 (2.74843e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.529271313980214 (1.83339e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.529271313876957 (1.86746e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.52927131377775 (1.79421e-09% change)
linmin: converged after 13 iterations.
iteration 20: trace = 5.529271313733426 (8.01618e-10% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.529271313721342 (2.18556e-10% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.529271313719439 (3.44074e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088
elapsed time for k point: 0.0736234188079834
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.538985517448269 (0.141109% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.534550185471011 (0.0801069% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.53328893111629 (0.0227913% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.532631711818752 (0.0118783% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.532342815996529 (0.00522181% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.53223657988561 (0.00192029% change)
linmin: converged after 10 iterations.
iteration 7: trace = 5.532184612246406 (0.000939365% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.532165289409572 (0.000349281% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.53215699790288 (0.000149878% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.532154378963375 (4.73403e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.532153853741139 (9.49399e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.532153673436557 (3.25921e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.53215362460911 (8.82612e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.532153611036561 (2.45339e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.532153607469195 (6.44842e-08% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.532153606672814 (1.43955e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.53215360642539 (4.47248e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.532153606309885 (2.08788e-09% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.532153606238235 (1.29516e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.532153606171856 (1.19987e-09% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.532153606115745 (1.01426e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.532153606087498 (5.10608e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.532153606073365 (2.55465e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.53215360606891 (8.05311e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081
elapsed time for k point: 0.07975983619689941
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.545510165467671 (0.156486% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.53970135058995 (0.104803% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.537423366333638 (0.0411295% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.535869635928369 (0.0280627% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.535105335921414 (0.0138073% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.53483989949765 (0.00479562% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.534735453565166 (0.00188708% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.534709296156107 (0.000472606% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.534699673866182 (0.000173854% change)
linmin: converged after 8 iterations.
iteration 10: trace = 5.534696883149076 (5.04222e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.534696297656427 (1.05786e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.534696086069314 (3.82292e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.534696023141974 (1.13696e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.534696003432254 (3.56112e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.534695997023212 (1.15798e-07% change)
linmin: converged after 12 iterations.
iteration 16: trace = 5.534695995144546 (3.39434e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.534695994510907 (1.14485e-08% change)
linmin: converged after 17 iterations.
iteration 18: trace = 5.534695994207872 (5.47519e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.534695994030399 (3.20656e-09% change)
linmin: converged after 12 iterations.
iteration 20: trace = 5.534695993871264 (2.87522e-09% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.534695993784569 (1.56638e-09% change)
linmin: converged after 7 iterations.
iteration 22: trace = 5.534695993753224 (5.66347e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.534695993742776 (1.88766e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.534695993739176 (6.50404e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059
elapsed time for k point: 0.07984066009521484
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.539951339880242 (0.178088% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.532912895847705 (0.12713% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.529976673731458 (0.0530824% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.528255687466732 (0.0311259% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.527477327141118 (0.0140807% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.527260627433148 (0.00392049% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.527174950010757 (0.0015501% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.527154244268933 (0.000374618% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.527144578125395 (0.000174885% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.527141353729434 (5.83375e-05% change)
linmin: converged after 6 iterations.
iteration 11: trace = 5.527140472049874 (1.59518e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.527140149104516 (5.8429e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.527140063332194 (1.55184e-06% change)
linmin: converged after 16 iterations.
iteration 14: trace = 5.527140039497723 (4.31226e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.527140030767502 (1.57952e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.527140027391178 (6.10863e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.527140025708313 (3.04473e-08% change)
linmin: converged after 14 iterations.
iteration 18: trace = 5.527140024739849 (1.7522e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.52714002424971 (8.86785e-09% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.527140024034408 (3.89537e-09% change)
linmin: converged after 16 iterations.
iteration 21: trace = 5.527140023982145 (9.45556e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.527140023969887 (2.2179e-10% change)
linmin: converged after 15 iterations.
iteration 23: trace = 5.527140023966947 (5.31897e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024
elapsed time for k point: 0.07692265510559082
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.522657858711453 (0.154096% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.51765344023986 (0.0906572% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.515894145978647 (0.0318899% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.515136110127697 (0.0137437% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.514757022135095 (0.00687383% change)
linmin: converged after 12 iterations.
iteration 6: trace = 5.514652113037982 (0.00190235% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.514602232259413 (0.000904518% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.514589888306563 (0.000223841% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.514584139299159 (0.000104251% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.514582298956496 (3.33723e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.514581753925765 (9.88345e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.51458155129702 (3.67442e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.514581501626841 (9.00706e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.514581491384362 (1.85734e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.514581488005883 (6.12645e-08% change)
linmin: converged after 37 iterations.
iteration 16: trace = 5.514581486953495 (1.90837e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.514581486665204 (5.2278e-09% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.514581486577281 (1.59437e-09% change)
linmin: converged after 8 iterations.
iteration 19: trace = 5.514581486551829 (4.6155e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.514581486536885 (2.70983e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.51458148652924 (1.3864e-10% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.514581486526159 (5.58717e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983
elapsed time for k point: 0.07359600067138672
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.513146354883722 (0.11801% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.510121677342044 (0.0548781% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.509211811143087 (0.016514% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.508907839981763 (0.00551766% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.508737669131319 (0.00308906% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.508683639257633 (0.000980808% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.50865412206727 (0.000535832% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.50864669288852 (0.000134864% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.508643590274295 (5.63226e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.508642644310975 (1.71723e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.50864236513062 (5.06804e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.508642262323828 (1.86628e-06% change)
linmin: converged after 8 iterations.
iteration 13: trace = 5.50864223788113 (4.43715e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.508642233589994 (7.78982e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.508642232550772 (1.88653e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.508642232232834 (5.77163e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.5086422321571 (1.37482e-09% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.508642232135503 (3.92056e-10% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.508642232131606 (7.07332e-11% change)
Finished solving for bands 1 to 8 after 19 iterations.
tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941
elapsed time for k point: 0.06384611129760742
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.55058118313115 (0.389346% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.542766757881417 (0.140885% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.540530252342469 (0.0403581% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.539782553670534 (0.013496% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.539265295830601 (0.00933759% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.539067918395565 (0.00356331% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.538979756672791 (0.00159165% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.538958695418 (0.000380238% change)
linmin: converged after 10 iterations.
iteration 9: trace = 5.538951634380076 (0.00012748% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.538948975756819 (4.79987e-05% change)
linmin: converged after 9 iterations.
iteration 11: trace = 5.538948192460806 (1.41416e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.538947835307317 (6.44804e-06% change)
linmin: converged after 8 iterations.
iteration 13: trace = 5.538947686577423 (2.68517e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.538947636561917 (9.02978e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.538947618030138 (3.34572e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538947613905355 (7.44687e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.538947613187684 (1.29568e-08% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.538947612989022 (3.58665e-09% change)
linmin: converged after 10 iterations.
iteration 19: trace = 5.538947612948638 (7.29086e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.538947612937269 (2.0525e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.538947612933673 (6.49263e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866
elapsed time for k point: 0.0703592300415039
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 5.647301200611738 (0.329684% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.640927549608877 (0.112926% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.638790479454456 (0.0378923% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.637897868749102 (0.0158311% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.637265321496212 (0.0112202% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.637035875264222 (0.00407025% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.636936166368233 (0.00176883% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.636905106755414 (0.000551003% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.636896042414138 (0.000160804% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.636893338294144 (4.79718e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.63689288185743 (8.09731e-06% change)
linmin: converged after 20 iterations.
iteration 12: trace = 5.636892759768465 (2.16589e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.636892722735103 (6.56982e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.636892712210973 (1.86701e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.636892708239743 (7.04507e-08% change)
linmin: converged after 29 iterations.
iteration 16: trace = 5.636892706830092 (2.50076e-08% change)
linmin: converged after 19 iterations.
iteration 17: trace = 5.636892706179626 (1.15394e-08% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.636892705778898 (7.10903e-09% change)
linmin: converged after 18 iterations.
iteration 19: trace = 5.636892705608984 (3.01432e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.636892705551562 (1.01869e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.636892705530972 (3.65268e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.636892705526574 (7.80263e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904
elapsed time for k point: 0.07357168197631836
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.818503972293691 (0.323359% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.811864946631749 (0.114167% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.80959695559026 (0.0390311% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.808664036811325 (0.0160595% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.808059684314398 (0.0104049% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.807780352579808 (0.0048095% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.807591816899011 (0.00324631% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.807497036546474 (0.00163202% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.807463230771279 (0.000582107% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.807448604624893 (0.000251851% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.807443106317815 (9.46769e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.807439494876415 (6.21864e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.807437481552949 (3.4668e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.807436670284365 (1.39695e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.807436289960402 (6.54891e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.807436162892385 (2.18802e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.807436126334485 (6.29502e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.807436116187895 (1.74717e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.807436113287419 (4.99442e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.807436112416773 (1.49919e-08% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.807436112088626 (5.65047e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.807436111990084 (1.69682e-09% change)
linmin: converged after 16 iterations.
iteration 23: trace = 5.807436111928493 (1.06055e-09% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.807436111892697 (6.16387e-10% change)
linmin: converged after 10 iterations.
iteration 25: trace = 5.807436111861503 (5.37134e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.807436111844972 (2.84648e-10% change)
linmin: converged after 9 iterations.
iteration 27: trace = 5.807436111839939 (8.667e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098
elapsed time for k point: 0.08970785140991211
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.058568816406366 (0.404469% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.047217423444727 (0.187537% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.0428693536347 (0.0719279% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.041115569071303 (0.0290266% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.040281476957603 (0.0138079% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.039949783541457 (0.00549151% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.039732337732385 (0.00360019% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.039536476498154 (0.00324293% change)
linmin: converged after 5 iterations.
iteration 9: trace = 6.039366429150508 (0.00281561% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.039238347543021 (0.0021208% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.039190527154679 (0.000791831% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.039166804291315 (0.000392816% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.039155082215229 (0.000194101% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.039151356031256 (6.17004e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.039149892355141 (2.42365e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.039149291361488 (9.95163e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.039148998716701 (4.84579e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.039148870832841 (2.11758e-06% change)
linmin: converged after 5 iterations.
iteration 19: trace = 6.039148806998382 (1.05701e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.039148770819057 (5.9908e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.039148755038091 (2.61311e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.039148750226732 (7.96695e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.039148748437229 (2.96317e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.039148747735014 (1.16277e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.039148747103849 (1.04512e-08% change)
linmin: converged after 13 iterations.
iteration 26: trace = 6.039148746498664 (1.0021e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.039148745995293 (8.33513e-09% change)
linmin: converged after 27 iterations.
iteration 28: trace = 6.039148745700733 (4.87751e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.039148745569342 (2.17565e-09% change)
linmin: converged after 9 iterations.
iteration 30: trace = 6.039148745510182 (9.79605e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.039148745490022 (3.33834e-10% change)
linmin: converged after 6 iterations.
iteration 32: trace = 6.039148745481262 (1.45055e-10% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.03914874547851 (4.55623e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448
elapsed time for k point: 0.10901665687561035
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 6.298730915271923 (0.895356% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.245437546859799 (0.849692% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.223334153898405 (0.35454% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.211975635419504 (0.182682% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.208144497511515 (0.0616924% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.206836175369097 (0.0210765% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.206168982919507 (0.0107499% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.205804637845149 (0.00587086% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.205532505964936 (0.00438521% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.205428325423106 (0.00167885% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.205403953115949 (0.000392759% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.205389695901296 (0.000229755% change)
linmin: converged after 8 iterations.
iteration 13: trace = 6.205378818817473 (0.000175285% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.205369022899885 (0.000157862% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.205362148408089 (0.000110783% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.205354260892521 (0.000127108% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.205347521566777 (0.000108605% change)
linmin: converged after 5 iterations.
iteration 18: trace = 6.205343387171193 (6.66264e-05% change)
linmin: converged after 6 iterations.
iteration 19: trace = 6.205340291032243 (4.98947e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.205338895537121 (2.24886e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 6.205338348830022 (8.81027e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.205338035122779 (5.05544e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 6.205337843118102 (3.09419e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.205337736263875 (1.72197e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.205337681834897 (8.77132e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 6.205337658438697 (3.77033e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.20533765017481 (1.33174e-07% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.205337648379762 (2.89275e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 6.20533764781293 (9.1346e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 6.205337647526114 (4.62208e-09% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.205337647305309 (3.5583e-09% change)
linmin: converged after 6 iterations.
iteration 32: trace = 6.205337647187878 (1.89243e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.205337647139043 (7.86979e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 6.205337647127346 (1.8849e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.205337647122201 (8.2916e-11% change)
Finished solving for bands 2 to 8 after 35 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681
elapsed time for k point: 0.0959482192993164
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0>
Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0>
Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661%
Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094%
total elapsed time for run: 1.4005632400512695
done
epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill"
Read lattice vectors
Read Bloch wavevector (0, 0, 0)
Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
Input data is rank 2, size 32x32x1.
Output data 96x83x1
real part range: 1 .. 12
./tmp/meepg15Lzl/test_tri_rods-0: 2.15s
/tmp/meepg15Lzl/test_triangular_lattice-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
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: 0.0014598369598388672
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...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 13.46696798403983 (196.169% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.440830280549287 (84.8976% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.843527011222895 (11.6158% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.668700885441982 (3.67582% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.608869323792538 (1.28981% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.588596019692742 (0.440845% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.580741637908754 (0.171318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.578987295163937 (0.0383056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.578322878448064 (0.0145112% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.578003942463015 (0.00696646% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.577929653765463 (0.00162274% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.577907037545194 (0.000494028% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.577897255801734 (0.000213673% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.577895086336259 (4.739e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.577894696365646 (8.51856e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.57789463693543 (1.2982e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.577894629221514 (1.68504e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.577894627568718 (3.61038e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.577894626939212 (1.3751e-08% change)
linmin: converged after 5 iterations.
iteration 20: trace = 4.577894626693606 (5.36505e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 4.57789462661256 (1.77038e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.577894626584484 (6.1328e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.577894626574822 (2.11068e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.577894626572792 (4.43323e-11% change)
Finished solving for bands 2 to 8 after 24 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.06676578521728516
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.573594159720884 (1.05882% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.5533624235809 (0.44334% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.549198778889174 (0.0914829% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.547235691259341 (0.0431617% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.546720480078164 (0.0113308% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.546675795887479 (0.000982783% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.546668812199723 (0.0001536% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.546667474444716 (2.94228e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.546667093982199 (8.36794e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.546667026314634 (1.48829e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.546667010167314 (3.55146e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.546667005947763 (9.28054e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.546667004173656 (3.90199e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.546667003528526 (1.41891e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.546667003425869 (2.25786e-09% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.546667003411072 (3.25448e-10% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.546667003406389 (1.02987e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.546667003404457 (4.25075e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
elapsed time for k point: 0.06057929992675781
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.480154501469817 (1.0243% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.462951577211212 (0.384719% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.458417513622179 (0.101645% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.456998073935351 (0.0318424% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.456802317102498 (0.00439222% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.456776714934251 (0.000574453% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.456772279362191 (9.95243e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.456771848143082 (9.67559e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.456771799201276 (1.41416e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.456771797345358 (4.16427e-08% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.456771796664019 (1.52877e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.456771796571513 (2.07564e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.456771796564526 (1.56759e-10% change)
linmin: converged after 6 iterations.
iteration 15: trace = 4.456771796562712 (4.07144e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
elapsed time for k point: 0.05064272880554199
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.372440119410637 (0.691847% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.366282685668829 (0.140923% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.364947654944967 (0.0305806% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.364626763463701 (0.00735182% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.364572744594429 (0.00123766% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.364566107346524 (0.000152071% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.364565316740354 (1.81142e-05% change)
linmin: converged after 15 iterations.
iteration 8: trace = 4.364565239126184 (1.77828e-06% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.364565234500086 (1.05992e-07% change)
linmin: converged after 19 iterations.
iteration 10: trace = 4.364565233724115 (1.77789e-08% change)
linmin: converged after 12 iterations.
iteration 11: trace = 4.364565233381509 (7.84974e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.364565233306733 (1.71325e-09% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.364565233299627 (1.62798e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.364565233298253 (3.14811e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
elapsed time for k point: 0.04782366752624512
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.308394919604844 (0.552361% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.304883211984182 (0.0815417% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.304231324865016 (0.0151441% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.304101774804951 (0.00300988% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.304072509722035 (0.000679937% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
linmin: converged after 18 iterations.
iteration 7: trace = 4.304069984297116 (3.09852e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.304069968915972 (3.57363e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.304069965945503 (6.90153e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.304069964779028 (2.71017e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.304069964479558 (6.95785e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.304069964440695 (9.02919e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.304069964437598 (7.1957e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
elapsed time for k point: 0.04456305503845215
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.287294007238772 (0.514399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.28412496132847 (0.0739445% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283595116492537 (0.0123684% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.283502303118704 (0.00216674% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283478596024279 (0.000553453% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.28347715445874 (3.36541e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.28347707781069 (1.78939e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283477070330029 (1.7464e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283477065633831 (3.18914e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.283477065618207 (3.64749e-10% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.283477065616427 (4.15529e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
elapsed time for k point: 0.04414057731628418
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.276566747825645 (0.530593% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.266858088831402 (0.227278% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.264882331994834 (0.0463154% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.264548458692773 (0.00782874% change)
linmin: converged after 15 iterations.
iteration 5: trace = 4.264488730548915 (0.00140058% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.264476449097829 (0.000287994% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.264474782181724 (3.90884e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.264474642738403 (3.26988e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.264474631203496 (1.26256e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.264474631199773 (8.73084e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
elapsed time for k point: 0.04096055030822754
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.232489072565515 (0.358169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.229105412374748 (0.0799769% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.228655882204029 (0.01063% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.228604967100096 (0.00120406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.228597156343835 (0.000184713% change)
linmin: converged after 15 iterations.
iteration 6: trace = 4.228595847507817 (3.0952e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.228595668484542 (4.23363e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.228595652361874 (3.09286e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.228595652271399 (2.1396e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.228595652264812 (1.55766e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.228595652264469 (8.10758e-12% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
elapsed time for k point: 0.041066646575927734
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.198038763849723 (0.248355% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.196704784159248 (0.0317813% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.196585228731935 (0.00284883% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.196578318037076 (0.000164674% change)
linmin: converged after 11 iterations.
iteration 5: trace = 4.196577861660908 (1.0875e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.196577824465235 (8.86333e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.196577821831919 (6.27491e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.196577821279777 (1.3157e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.196577821233547 (1.10163e-09% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.19657782122971 (9.14088e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
elapsed time for k point: 0.034711360931396484
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.176560952862595 (0.20622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.175731928735249 (0.0198514% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.175658188677838 (0.00176593% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.175652343488816 (0.000139983% change)
linmin: converged after 19 iterations.
iteration 5: trace = 4.175651823639799 (1.24495e-05% change)
linmin: converged after 36 iterations.
iteration 6: trace = 4.175651765087074 (1.40224e-06% change)
linmin: converged after 25 iterations.
iteration 7: trace = 4.175651761832761 (7.79355e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.175651761361389 (1.12886e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.175651761335722 (6.14694e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.175651761333511 (5.29421e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
elapsed time for k point: 0.034993648529052734
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.169192632974811 (0.188262% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168494135847975 (0.0167552% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.168418925223787 (0.00180428% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16841215172734 (0.000162496% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.168411689651685 (2.35733e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.168411689612854 (9.31558e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.168411689609142 (8.90435e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
elapsed time for k point: 0.03133273124694824
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.201218407861228 (0.720819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.198256255957313 (0.0705318% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.197890564842538 (0.00871093% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.197857649510742 (0.000784095% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.197854429378012 (7.6709e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.197854075525582 (8.42936e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.197854052380288 (5.5136e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.197854050317017 (2.34222e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.197854050309857 (1.70554e-10% change)
linmin: converged after 15 iterations.
iteration 11: trace = 4.1978540503093 (1.3266e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
elapsed time for k point: 0.03786325454711914
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.288243522338976 (0.732668% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.283958408011071 (0.099977% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283371588299238 (0.013699% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.283281438838009 (0.00210466% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.283267824693608 (0.000317844% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.283266579370458 (2.90741e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.283266497834246 (1.9036e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283266490102653 (1.80507e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283266489093188 (2.35676e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.283266489000646 (2.16055e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.28326648899116 (2.21481e-10% change)
linmin: converged after 16 iterations.
iteration 12: trace = 4.283266488990684 (1.11145e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
elapsed time for k point: 0.0410313606262207
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.420129679060166 (0.818903% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.412260674164766 (0.178185% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.410633634426059 (0.0368822% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.410197926814338 (0.00987906% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.410114427040233 (0.00189335% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.410103889016632 (0.000238952% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.410102421711938 (3.32714e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.410102293698956 (2.90272e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.410102277309542 (3.71633e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.410102274815384 (5.65556e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.410102274561977 (5.74606e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.410102274546349 (3.54377e-10% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.410102274545239 (2.51544e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
elapsed time for k point: 0.04418158531188965
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.563328932101822 (1.027% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.54456039825868 (0.412138% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.537741031323391 (0.150168% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.535260913319922 (0.0546703% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534595991553311 (0.0146622% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.534531477384966 (0.00142272% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.534520999244496 (0.000231075% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534518657738525 (5.16374e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.534517831347479 (1.82245e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.534517644423108 (9.03518e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.534517627208908 (3.79626e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.534517623618735 (7.91743e-08% change)
linmin: converged after 10 iterations.
iteration 14: trace = 4.534517622906266 (1.57121e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.534517622781561 (2.75014e-09% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.534517622760761 (4.5869e-10% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.534517622757202 (7.84853e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
elapsed time for k point: 0.05739545822143555
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.620932082274213 (1.44492% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.585858477330618 (0.761907% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.579350993234686 (0.142004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.578211771379698 (0.0248805% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.577956393189922 (0.00557828% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.577915173102074 (0.000900408% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.577900193795435 (0.000327209% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.577895724955969 (9.76177e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.577894738564437 (2.15468e-05% change)
linmin: converged after 9 iterations.
iteration 10: trace = 4.577894647524328 (1.98869e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.577894631981878 (3.39511e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.577894627560065 (9.65905e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.577894626684427 (1.91275e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.577894626586346 (2.14248e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.577894626573654 (2.77247e-10% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.577894626572483 (2.55711e-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
..
======================================================================
FAIL: test_diamond (__main__.TestModeSolver.test_diamond)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond
self.compare_h5_files(ref_path, res_path)
~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files
self.assertClose(ref[k][()], res[k][()], epsilon=1e-3)
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose
self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg)
~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: np.float64(25.58265238651825) not less than or equal to np.float64(0.03691918193133089) :
======================================================================
FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file
self.check_gap_list(expected_gap_list, ms.gap_list)
~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list
self.check_freqs(expected_gap_list, result)
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^
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: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference)
======================================================================
FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab
self.compare_h5_files(ref_path, res_path)
~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files
self.assertEqual(ref[k][()], res[k][()])
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253'
======================================================================
FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 571, in test_output_efield_z
self.compare_h5_files(ref_path, res_path)
~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files
self.assertClose(ref[k][()], res[k][()], epsilon=1e-3)
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose
self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg)
~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: np.float64(2.35577178501025e-08) not less than or equal to np.float64(1.446824213066321e-08) :
======================================================================
FAIL: test_strip (__main__.TestModeSolver.test_strip)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip
self.assertAlmostEqual(e, r, places=3)
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^
AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference)
----------------------------------------------------------------------
Ran 47 tests in 269.880s
FAILED (failures=5)
elapsed time for k point: 0.04501080513000488
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0>
Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506%
Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046%
Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144%
Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158%
Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939%
total elapsed time for run: 0.7257387638092041
done
/tmp/meepg15Lzl/test_triangular_lattice-0: 0.73s
/tmp/meepg15Lzl/test_update_band_range_data-0
========================
/tmp/meepg15Lzl/test_update_band_range_data-0: 0.00s
Elapsed run time = 269.9041 s
FAIL tests/test_mpb.py (exit status: 1)
FAIL: tests/test_mode_decomposition
===================================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_mode_decomposition.py (exit status: 1)
FAIL: tests/test_multilevel_atom
================================
Matplotlib created a temporary cache directory at /tmp/matplotlib-4vbyg2hk 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.
-----------
Initializing structure...
time for choose_chunkdivision = 3.19481e-05 s
Working in 1D dimensions.
Computational cell is 0 x 0 x 3 with resolution 40
block, center = (0,0,-1)
size (1e+20,1e+20,1)
axes (1,0,0), (0,1,0), (0,0,1)
dielectric constant epsilon diagonal = (2.25,2.25,2.25)
time for set_epsilon = 6.10352e-05 s
multilevel atom susceptibility
-----------
Meep progress: 2964.1125/7000.0 = 42.3% done in 4.0s, 5.4s to go
on time step 237129 (time=2964.11), 1.68686e-05 s/step
Meep progress: 5880.887500000001/7000.0 = 84.0% done in 8.0s, 1.5s to go
on time step 470473 (time=5880.91), 1.71421e-05 s/step
F
======================================================================
FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom
sim.run(mp.at_end(check_field), until=7000)
~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 4536, in run
self._run_until(until, step_funcs)
~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 2841, in _run_until
_eval_step_func(self, func, "finish")
~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5006, in _eval_step_func
func(sim, todo)
~~~~^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5087, in _end
_eval_step_func(sim, func, "step")
~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5004, in _eval_step_func
func(sim)
~~~~^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 73, in check_field
self.assertAlmostEqual(fp, -2.7110969214986387)
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference)
----------------------------------------------------------------------
Ran 1 test in 9.512s
FAILED (failures=1)
Elapsed run time = 9.5142 s
FAIL tests/test_multilevel_atom.py (exit status: 1)
FAIL: tests/test_pml_cyl
========================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_pml_cyl.py (exit status: 1)
FAIL: tests/test_refl_angular
=============================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_refl_angular.py (exit status: 1)
FAIL: tests/test_ring
=====================
Matplotlib created a temporary cache directory at /tmp/matplotlib-j43ulqkk 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.
-----------
Initializing structure...
Halving computational cell along direction y
time for choose_chunkdivision = 0.000141859 s
Working in 2D dimensions.
Computational cell is 16 x 16 x 0 with resolution 10
cylinder, center = (0,0,0)
radius 2, height 1e+20, axis (0, 0, 1)
dielectric constant epsilon diagonal = (11.56,11.56,11.56)
cylinder, center = (0,0,0)
radius 1, height 1e+20, axis (0, 0, 1)
dielectric constant epsilon diagonal = (1,1,1)
time for set_epsilon = 0.0249832 s
-----------
Meep: using output directory '/tmp/meepXz02X0'
creating output file "/tmp/meepXz02X0/test_ring-eps-000000.00.h5"...
Fharminv0:, frequency, imag. freq., Q, |amp|, amplitude, error
harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i
harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i
harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i
run 0 finished at t = 400.0 (8000 timesteps)
-----------
Initializing structure...
Halving computational cell along direction y
time for choose_chunkdivision = 0.000151157 s
Working in 2D dimensions.
Computational cell is 16 x 16 x 0 with resolution 10
cylinder, center = (0,0,0)
radius 2, height 1e+20, axis (0, 0, 1)
dielectric constant epsilon diagonal = (11.56,11.56,11.56)
cylinder, center = (0,0,0)
radius 1, height 1e+20, axis (0, 0, 1)
dielectric constant epsilon diagonal = (1,1,1)
time for set_epsilon = 0.024792 s
-----------
/usr/lib/python3/dist-packages/scipy/interpolate/_pade.py:63: LinAlgWarning: Ill-conditioned matrix (rcond=1.59663e-20): result may not be accurate.
pq = linalg.solve(C, an)
.
======================================================================
FAIL: test_harminv (__main__.TestRing.test_harminv)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_ring.py", line 67, in test_harminv
self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4)
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: -0.003101645043636964 != -0.00304951667301 within 4 places (5.2128370626963825e-05 difference)
----------------------------------------------------------------------
Ran 2 tests in 10.338s
FAILED (failures=1)
Meep: using output directory '/tmp/meepXz02X0'
harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error
harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i
harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i
harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i
run 0 finished at t = 400.0 (8000 timesteps)
Elapsed run time = 10.5307 s
FAIL tests/test_ring.py (exit status: 1)
FAIL: tests/test_special_kz
===========================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_special_kz.py (exit status: 1)
## check whether testsuite runs everywhere
#make check; \
#cat python/test-suite.log
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
create-stamp debian/debhelper-build-stamp
dh_prep
debian/rules override_dh_auto_install
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
dh_installchangelogs NEWS.md
dh_auto_install
make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no
make[2]: Entering directory '/build/reproducible-path/meep-1.29.0'
Making install in src
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
make install-recursive
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
Making install in support
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
make[6]: Nothing to be done for 'install-exec-am'.
make[6]: Nothing to be done for 'install-data-am'.
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
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'
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
/bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; })
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; })
libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la
libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a
libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a
libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include'
/usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
/usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
Making install in tests
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
Making install in scheme
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
make install-am
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'
libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu'
libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep'
/usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
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 install in libpympb
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
/bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
libtool: warning: relinking 'libpympb.la'
libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0
libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; })
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; })
libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la
libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a
libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a
libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
/usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
Making install in python
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
make install-am
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'
libtool: warning: relinking '_meep.la'
libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0
libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; })
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 || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; })
libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la
libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint'
/usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint'
Byte-compiling python modules...
__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
Byte-compiling python modules (optimized versions) ...
__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
Byte-compiling python modules (more optimized versions) ...
__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
/usr/bin/install -c -m 644 __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 '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
Byte-compiling python modules...
__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
Byte-compiling python modules (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
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'
libtool: warning: relinking '_mpb.la'
libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0
libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; })
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 || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; })
libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la
libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
/usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
Byte-compiling python modules...
mpb.py solver.py mpb_data.py
Byte-compiling python modules (optimized versions) ...
mpb.py solver.py mpb_data.py
Byte-compiling python modules (more optimized versions) ...
mpb.py solver.py mpb_data.py
make install-data-hook
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0'
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0'
make[4]: Nothing to be done for 'install-exec-am'.
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig'
/usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0'
make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0'
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la
rm -f -f debian/tmp/usr/lib/*/libpympb.la
rm -f -f debian/tmp/usr/lib/*/libmeep.la
rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/
rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/
rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_install
dh_installdocs
dh_installchangelogs
dh_installman
dh_lintian
dh_perl
dh_link
dh_strip_nondeterminism
dh_compress
dh_fixperms
dh_missing
dh_dwz -a
dh_strip -a
dh_makeshlibs -a
debian/rules override_dh_shlibdeps
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
dh_shlibdeps
dpkg-shlibdeps: warning: diversions involved - output may be incorrect
diversion by libc6 from: /lib/ld-linux-aarch64.so.1
dpkg-shlibdeps: warning: diversions involved - output may be incorrect
diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
dpkg-shlibdeps: warning: diversions involved - output may be incorrect
diversion by libc6 from: /lib/ld-linux-aarch64.so.1
dpkg-shlibdeps: warning: diversions involved - output may be incorrect
diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
dpkg-shlibdeps: warning: diversions involved - output may be incorrect
diversion by libc6 from: /lib/ld-linux-aarch64.so.1
dpkg-shlibdeps: warning: diversions involved - output may be incorrect
diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyType_Modified: it's probably a plugin
dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all)
dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_GenericGetAttr: 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
dh_numpy3: warning: skipping binary package libmeep33 which does not depend on the NumPy C ABI
dh_numpy3: warning: skipping binary package libmeep-dev which does not depend on the NumPy C ABI
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_installdeb
dh_gencontrol
dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
dh_md5sums
dh_builddeb
dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_arm64.deb'.
dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_arm64.deb'.
dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_arm64.deb'.
dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_arm64.deb'.
dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_arm64.deb'.
dpkg-deb: building package 'meep' in '../meep_1.29.0-2_arm64.deb'.
dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_arm64.deb'.
dpkg-genbuildinfo --build=binary -O../meep_1.29.0-2_arm64.buildinfo
dpkg-genchanges --build=binary -O../meep_1.29.0-2_arm64.changes
dpkg-genchanges: info: binary-only upload (no source code included)
dpkg-source --after-build .
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: not including original source code in upload
I: copying local configuration
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/1614624 and its subdirectories
I: Current time: Sun Apr 26 06:43:29 -12 2026
I: pbuilder-time-stamp: 1777229009
Mon Mar 24 12:20:37 UTC 2025 I: 1st build successful. Starting 2nd build on remote node codethink04-arm64.debian.net.
Mon Mar 24 12:20:37 UTC 2025 I: Preparing to do remote build '2' on codethink04-arm64.debian.net.
Mon Mar 24 12:34:16 UTC 2025 I: Deleting $TMPDIR on codethink04-arm64.debian.net.