Ec/triazine/cc-pvdz/slurm-511899.out

+ INPUT=triazine
+ source /users/p18005/veril/tmpdir/qp2/quantum_package.rc
++ QP_ROOT=/NOT/FOUND
++ case "$(ps -p $$ -ocomm=)" in
+++ ps -p 33560 -ocomm=
+++ dirname '/users/p18005/veril/tmpdir/qp2/quantum_package.rc[0]'
++ QP_ROOT=/users/p18005/veril/tmpdir/qp2
+++ cd /users/p18005/veril/tmpdir/qp2
+++ pwd -P
++ export QP_ROOT=/tmpdir/veril/qp2
++ QP_ROOT=/tmpdir/veril/qp2
++ WD=/users/p18005/veril/tmpdir/Ec/triazine/cc-pvdz
++ cd /tmpdir/veril/qp2/etc
++ for SCRIPT in '*.rc'
++ source 00.qp_root.rc
+++ export QP_ROOT=/tmpdir/veril/qp2
+++ QP_ROOT=/tmpdir/veril/qp2
++ for SCRIPT in '*.rc'
++ source autocomplete.rc
++++ ps -p 33560 -ocomm=
+++ [[ slurm_script == \z\s\h ]]
++ for SCRIPT in '*.rc'
++ source configure.rc
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 33560 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ complete -F _configure_Complete configure
++ for SCRIPT in '*.rc'
++ source ezfio.rc
+++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
+++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 33560 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
++ for SCRIPT in '*.rc'
++ source irpf90.rc
+++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
+++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
+++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
+++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 33560 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
++ for SCRIPT in '*.rc'
++ source libraries.rc
+++ QP_LIB=
++ for SCRIPT in '*.rc'
++ source local.rc
++ for SCRIPT in '*.rc'
++ source ninja.rc
+++ export NINJA=/tmpdir/veril/qp2/bin/ninja
+++ NINJA=/tmpdir/veril/qp2/bin/ninja
++ for SCRIPT in '*.rc'
++ source ocaml.rc
+++ [[ -z /tmpdir/veril/qp2/external/opam ]]
+++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
++ for SCRIPT in '*.rc'
++ source paths.rc
+++ QP_PYTHON=
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ezfio.rc
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 33560 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source irpf90.rc
++++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
++++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
++++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
++++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 33560 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ninja.rc
++++ export NINJA=/tmpdir/veril/qp2/bin/ninja
++++ NINJA=/tmpdir/veril/qp2/bin/ninja
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ocaml.rc
++++ [[ -z /tmpdir/veril/qp2/external/opam ]]
++++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
++++ qp_prepend_export PYTHONPATH /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
++++ eval 'value_1=${PYTHONPATH}'
+++++ value_1=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
++++ [[ -z /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: ]]
++++ echo /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
+++ export PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
+++ PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
++++ qp_prepend_export PATH :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml
++++ eval 'value_1=${PATH}'
+++++ value_1=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ [[ -z /tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ]]
++++ echo :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ export PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ qp_prepend_export LD_LIBRARY_PATH /tmpdir/veril/qp2/lib
++++ eval 'value_1=${LD_LIBRARY_PATH}'
+++++ value_1=/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
++++ [[ -z /tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib ]]
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
+++ export LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
+++ LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
++++ qp_prepend_export LIBRARY_PATH /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64
++++ eval 'value_1=${LIBRARY_PATH}'
+++++ value_1=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
++++ [[ -z /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ]]
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
+++ export LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
+++ LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
++++ qp_prepend_export C_INCLUDE_PATH /tmpdir/veril/qp2/include
++++ eval 'value_1=${C_INCLUDE_PATH}'
+++++ value_1=/tmpdir/veril/qp2/include:
++++ [[ -z /tmpdir/veril/qp2/include: ]]
++++ echo /tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
+++ export C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
+++ C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
++ for SCRIPT in '*.rc'
++ source qp.rc
++++ ps -p 33560 -ocomm=
+++ [[ slurm_script == \z\s\h ]]
+++ source /tmpdir/veril/qp2/etc/ezfio.rc
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 33560 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
+++ complete -F _qp_Complete qp
++ cd /users/p18005/veril/tmpdir/Ec/triazine/cc-pvdz
++ [[ -z /tmpdir/veril/qp2 ]]
+ set -e
+ ./localize.sh triazine.ang /tmpdir/veril/qp2/data/basis/cc-pvdz triazine

Orbital localization

Method : Boys_er
Separation type : Sigma/pi
Max number of iterations : 1000000
cc : 1e-05
epsilon : 1.
charge : 0
Rotation pre angle : 0.001

Criterion max_angle norm_angle average_angle

Orbital lists:
Core: [1,2,3,4,5,6,]
Occupied: [7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,]
Virtual: [22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,]
Sigma occ: [7,8,9,10,11,12,13,14,15,16,17,18,]
Pi occ: [19,20,21,]
Sigma vir: [25,26,27,28,29,30,31,32,33,34,35,36,37,38,43,44,45,47,48,51,52,57,58,60,61,62,63,64,65,66,69,70,71,72,73,74,76,77,81,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,]
Pi vir: [22,23,24,39,40,41,42,46,49,50,53,54,55,56,59,67,68,75,78,79,80,82,83,84,]

0 11.760235 -0.784262 1.839712 0.002920
1 17.627941 0.783923 1.224458 0.001944
2 22.654246 0.437449 1.053494 0.001672
3 27.016564 -0.429611 0.856815 0.001360
4 32.599849 -0.421856 0.614690 0.000976
5 37.419328 0.414633 0.183474 0.000291
6 37.741268 0.089836 0.132356 0.000210
7 38.007751 0.086797 0.049484 0.000079
8 38.033686 0.025359 0.034096 0.000054
9 38.054077 -0.023886 0.004628 0.000007
10 38.054135 -0.002141 0.003501 0.000006
11 38.054161 -0.001425 0.002863 0.000005
12 38.054215 0.001154 0.002353 0.000004
13 38.054255 0.001053 0.001821 0.000003
14 38.054306 -0.001012 0.001126 0.000002
15 38.054319 -0.000490 0.000887 0.000001
16 38.054329 0.000446 0.000625 0.000001
17 38.054330 -0.000323 0.000427 0.000001
18 38.054331 -0.000257 0.000224 0.000000
19 38.054331 0.000143 0.000097 0.000000
20 38.054331 -0.000066 0.000024 0.000000
21 38.054331 0.000013 0.000015 0.000000
22 38.054331 0.000011 0.000003 0.000000
23 38.054331 0.000001 0.000003 0.000000
0 6.521575 0.785391 6.295208 0.004996
1 11.090325 -0.785328 5.672363 0.004502
2 17.440325 0.784935 5.244043 0.004162
3 19.048017 0.784129 4.819089 0.003825
4 24.915906 0.783866 4.900765 0.003889
5 25.559998 -0.760807 4.681870 0.003716
6 27.598127 -0.772299 4.645228 0.003687
7 28.161134 -0.766132 4.501730 0.003573
8 28.800893 -0.758108 4.262347 0.003383
9 30.856354 -0.773584 4.169467 0.003309
10 31.416044 -0.762367 4.014246 0.003186
11 34.019659 0.733321 3.400386 0.002699
12 35.158869 0.708348 3.373801 0.002678
13 36.487620 -0.715350 3.468521 0.002753
14 37.615199 -0.703401 3.433204 0.002725
15 38.922304 0.711077 3.522625 0.002796
16 39.413546 -0.713023 3.466411 0.002751
17 40.360421 -0.726922 3.416853 0.002712
18 40.846920 -0.700463 3.361042 0.002667
19 41.846369 0.731363 3.308374 0.002626
20 43.333416 0.693787 3.243173 0.002574
21 44.804299 -0.686553 3.176725 0.002521
22 45.734583 0.654879 3.068216 0.002435
23 47.395716 0.707853 2.915928 0.002314
24 48.017315 0.640626 2.720921 0.002159
25 50.240697 -0.709075 2.793341 0.002217
26 52.075562 0.594603 2.698320 0.002142
27 52.316113 0.612242 2.467709 0.001958
28 52.546889 -0.463205 2.435704 0.001933
29 54.810222 0.521459 2.504802 0.001988
30 55.246212 -0.541063 2.329307 0.001849
31 56.517074 0.585924 2.200115 0.001746
32 57.589812 0.411323 2.180061 0.001730
33 58.653204 -0.507003 2.059137 0.001634
34 62.316536 0.401243 1.933681 0.001535
35 64.880606 0.389650 2.063053 0.001637
36 65.078330 0.718417 1.880177 0.001492
37 65.521530 -0.363134 1.838834 0.001459
38 67.607969 0.368704 1.810604 0.001437
39 67.907661 0.408287 1.707177 0.001355
40 69.216210 0.297984 1.690013 0.001341
41 69.611307 0.338682 1.629111 0.001293
42 71.847285 0.295615 1.577406 0.001252
43 73.983650 0.290015 1.527721 0.001212
44 74.887846 -0.331798 1.443778 0.001146
45 76.365879 0.258461 1.406599 0.001116
46 79.075057 0.247735 1.366577 0.001085
47 80.778036 -0.243036 1.305691 0.001036
48 81.121264 -0.266475 1.272483 0.001010
49 81.446595 -0.227941 1.227354 0.000974
50 82.421282 0.206235 1.190665 0.000945
51 82.719990 -0.204111 1.175380 0.000933
52 82.995127 -0.236311 1.131627 0.000898
53 84.259432 0.232222 1.093972 0.000868
54 85.438710 -0.200481 1.041484 0.000827
55 85.643849 0.199082 0.999421 0.000793
56 88.143321 -0.191722 0.957226 0.000760
57 89.005114 0.188415 0.940361 0.000746
58 89.496303 -0.223270 0.882524 0.000700
59 90.317356 -0.158917 0.860218 0.000683
60 90.870370 0.155351 0.826585 0.000656
61 91.927255 0.155029 0.800464 0.000635
62 92.136270 0.158190 0.775284 0.000615
63 92.901322 -0.149158 0.747875 0.000594
64 94.067500 0.138280 0.750816 0.000596
65 94.147904 0.181865 0.701530 0.000557
66 94.562508 -0.139430 0.680617 0.000540
67 95.666028 -0.137754 0.645466 0.000512
68 95.743392 -0.131898 0.607956 0.000483
69 96.796503 -0.128820 0.580407 0.000461
70 98.076008 -0.118014 0.556567 0.000442
71 98.185862 -0.100539 0.541187 0.000430
72 99.002435 -0.099745 0.519307 0.000412
73 99.328298 -0.098617 0.500095 0.000397
74 99.642763 -0.094841 0.479246 0.000380
75 99.725996 -0.087738 0.464194 0.000368
76 99.805829 -0.085449 0.446687 0.000355
77 99.976521 0.081308 0.431539 0.000342
78 100.353454 -0.075592 0.418428 0.000332
79 100.527195 -0.074950 0.407714 0.000324
80 100.668983 -0.073848 0.393782 0.000313
81 100.703321 -0.073915 0.377218 0.000299
82 100.868132 0.072279 0.365435 0.000290
83 101.013391 -0.076568 0.348251 0.000276
84 101.068330 0.070704 0.335377 0.000266
85 101.373914 0.068225 0.318382 0.000253
86 101.613490 0.061719 0.308280 0.000245
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1629 608.996375 0.058802 1.391216 0.000245
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1635 609.703609 -0.056034 1.383927 0.000244
1636 609.835451 -0.055974 1.384607 0.000244
1637 610.012773 0.055733 1.383816 0.000244
1638 610.129092 0.055545 1.382472 0.000244
1639 610.155603 0.057156 1.381295 0.000244
1640 610.168157 -0.055421 1.389441 0.000245
1641 610.170115 -0.121886 1.379470 0.000243
1642 610.195051 -0.060081 1.377933 0.000243
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1648 610.718782 0.055352 1.367631 0.000241
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1663 612.072946 0.056181 1.341849 0.000237
1664 612.190424 -0.054508 1.344003 0.000237
1665 612.190885 0.069971 1.340474 0.000236
1666 612.212417 0.054293 1.337796 0.000236
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1668 612.804516 -0.054182 1.334126 0.000235
1669 612.946314 0.054082 1.331765 0.000235
1670 613.041807 -0.053835 1.332206 0.000235
1671 613.069749 -0.054295 1.330385 0.000235
1672 613.085332 -0.053847 1.329082 0.000234
1673 613.086310 0.056654 1.327004 0.000234
1674 613.279987 0.053827 1.329741 0.000235
1675 613.280605 0.076256 1.325277 0.000234
1676 613.281731 -0.055346 1.322616 0.000233
1677 613.335698 -0.053778 1.320505 0.000233
1678 613.384176 -0.054816 1.318326 0.000233
1679 613.388474 -0.058571 1.315827 0.000232
1680 613.441747 0.053610 1.313289 0.000232
1681 613.582628 -0.054105 1.314271 0.000232
1682 613.583310 0.066918 1.310547 0.000231
1683 613.677841 -0.054129 1.308995 0.000231
1684 613.858742 -0.053584 1.306750 0.000230
1685 614.004458 0.053579 1.304788 0.000230
1686 614.075575 0.053363 1.302079 0.000230
1687 614.394200 -0.053231 1.299125 0.000229
1688 614.402316 -0.053262 1.300241 0.000229
1689 614.405074 -0.064337 1.296883 0.000229
1690 614.405438 0.055781 1.294965 0.000228
1691 614.434532 -0.054111 1.293824 0.000228
1692 614.530794 -0.052931 1.291660 0.000228
1693 614.539445 0.052905 1.288978 0.000227
1694 614.546686 0.052874 1.302295 0.000230
1695 614.547770 -0.136611 1.288433 0.000227
1696 614.551758 0.052589 1.286965 0.000227
1697 614.619074 -0.052518 1.284644 0.000227
1698 614.679072 0.052502 1.282552 0.000226
1699 614.726799 -0.052379 1.283050 0.000226
1700 614.728272 -0.056435 1.280649 0.000226
1701 614.807048 -0.053954 1.279113 0.000226
1702 614.855535 0.053055 1.277381 0.000225
1703 614.970247 0.052064 1.275129 0.000225
1704 615.084305 0.051786 1.273426 0.000225
1705 615.221578 0.051771 1.271238 0.000224
1706 615.386771 0.051403 1.268808 0.000224
1707 615.452946 -0.051586 1.268055 0.000224
1708 615.783583 0.051366 1.264759 0.000223
1709 615.789253 0.051359 1.262152 0.000223
1710 616.012403 0.051336 1.260606 0.000222
1711 616.154173 0.051187 1.258839 0.000222
1712 616.208700 -0.051020 1.258011 0.000222
1713 616.300343 0.051069 1.255679 0.000221
1714 616.452201 0.050754 1.254536 0.000221
1715 616.650628 0.050557 1.253225 0.000221
1716 616.997314 0.050533 1.252066 0.000221
1717 617.039323 0.050635 1.250359 0.000221
1718 617.373103 -0.050474 1.248347 0.000220
1719 617.376278 -0.050441 1.246195 0.000220
1720 617.703771 -0.050403 1.250312 0.000221
1721 617.704912 -0.093634 1.242909 0.000219
1722 617.899579 -0.053751 1.241694 0.000219
1723 617.927872 0.053843 1.239723 0.000219
1724 618.092327 -0.050384 1.237315 0.000218
1725 618.097446 -0.050327 1.235186 0.000218
1726 618.294153 0.050286 1.232723 0.000217
1727 618.352841 -0.050198 1.230333 0.000217
1728 618.375932 0.052021 1.229427 0.000217
1729 618.385453 0.050010 1.229705 0.000217
1730 618.397549 -0.055594 1.228553 0.000217
1731 618.535598 -0.050198 1.226427 0.000216
1732 618.725136 0.049826 1.225034 0.000216
1733 618.733461 -0.050674 1.221856 0.000215
1734 618.804512 -0.051182 1.224132 0.000216
1735 618.804768 0.068638 1.220866 0.000215
1736 618.905751 0.049561 1.218706 0.000215
1737 618.948739 -0.051333 1.218626 0.000215
1738 618.968598 -0.050757 1.216476 0.000215
1739 619.013953 -0.049515 1.214537 0.000214
1740 619.100147 0.050984 1.212480 0.000214
1741 619.182383 -0.049463 1.211886 0.000214
1742 619.616822 0.049309 1.210177 0.000213
1743 619.713556 0.049298 1.207892 0.000213
1744 619.722265 -0.051226 1.207711 0.000213
1745 619.722600 0.059649 1.205204 0.000213
1746 619.774130 0.049431 1.203236 0.000212
1747 619.801558 -0.049214 1.201925 0.000212
1748 619.802121 -0.049765 1.200640 0.000212
1749 620.118862 0.049023 1.200102 0.000212
1750 620.125846 -0.057727 1.197529 0.000211
1751 620.142749 0.048905 1.196629 0.000211
1752 620.143861 0.054647 1.193791 0.000211
1753 620.326190 0.048900 1.191666 0.000210
1754 620.424953 -0.048712 1.189773 0.000210
1755 620.600785 0.049388 1.187599 0.000209
1756 620.608279 -0.050020 1.192686 0.000210
1757 620.609075 0.085893 1.186968 0.000209
1758 620.619390 -0.050173 1.186122 0.000209
1759 620.973000 0.050644 1.185438 0.000209
1760 620.984136 0.050989 1.184215 0.000209
1761 621.001554 0.049003 1.182612 0.000209
1762 621.048301 0.048532 1.180144 0.000208
1763 621.064491 -0.048421 1.177725 0.000208
1764 621.363461 0.048192 1.175708 0.000207
1765 621.444274 0.048073 1.174715 0.000207
1766 621.543707 0.048000 1.172501 0.000207
1767 621.640144 0.047966 1.170099 0.000206
1768 621.839969 0.048405 1.166800 0.000206
1769 621.993129 -0.047915 1.167126 0.000206
1770 622.089944 0.047728 1.164486 0.000205
1771 622.121944 -0.047657 1.162926 0.000205
1772 622.372704 -0.047542 1.161928 0.000205
1773 622.410989 -0.047468 1.163716 0.000205
1774 622.411458 -0.071324 1.159644 0.000205
1775 622.723159 0.048701 1.166988 0.000206
1776 622.724147 0.105145 1.157118 0.000204
1777 622.944626 -0.047273 1.155912 0.000204
1778 622.948368 -0.049571 1.154658 0.000204
1779 623.012813 -0.047074 1.153236 0.000203
1780 623.062835 -0.046758 1.151288 0.000203
1781 623.272513 0.046692 1.151655 0.000203
1782 623.296787 -0.046663 1.149650 0.000203
1783 623.320805 -0.047082 1.148094 0.000202
1784 623.347062 -0.046495 1.146115 0.000202
1785 623.426016 0.046465 1.151642 0.000203
1786 623.426424 -0.085388 1.145865 0.000202
1787 623.426750 -0.054952 1.143553 0.000202
1788 623.471911 -0.046361 1.140911 0.000201
1789 623.501563 0.046341 1.138405 0.000201
1790 623.688564 -0.046189 1.138033 0.000201
1791 623.688984 0.048097 1.135948 0.000200
1792 623.732499 0.046038 1.133658 0.000200
1793 623.807128 -0.046977 1.132161 0.000200
1794 623.807577 0.045909 1.130350 0.000199
1795 623.877343 -0.045859 1.129462 0.000199
1796 623.899040 -0.045756 1.127594 0.000199
1797 623.907390 -0.045669 1.127225 0.000199
1798 623.916724 -0.049194 1.125866 0.000199
1799 623.984443 0.045569 1.124114 0.000198
1800 624.135292 0.046437 1.122809 0.000198
1801 624.173010 0.045527 1.120864 0.000198
1802 624.208220 -0.045505 1.119700 0.000197
1803 624.261067 0.046831 1.118722 0.000197
1804 624.268311 0.046655 1.116763 0.000197
1805 624.562449 0.045497 1.116735 0.000197
1806 624.562746 -0.050849 1.114725 0.000197
1807 624.824096 -0.045315 1.113190 0.000196
1808 624.833891 -0.048239 1.111659 0.000196
1809 624.837629 0.051823 1.109784 0.000196
1810 624.865017 -0.045113 1.108491 0.000196
1811 625.060352 -0.045067 1.106569 0.000195
1812 625.104802 0.045009 1.104252 0.000195
1813 625.165499 -0.045983 1.102031 0.000194
1814 625.282744 0.045002 1.100186 0.000194
1815 625.321814 0.044950 1.098406 0.000194
1816 625.379452 0.044728 1.100579 0.000194
1817 625.379939 0.054096 1.097990 0.000194
1818 625.570562 -0.046085 1.096277 0.000193
1819 625.608010 -0.044497 1.095223 0.000193
1820 625.615153 0.047119 1.096650 0.000193
1821 625.617734 0.066258 1.093436 0.000193
1822 625.692371 -0.046607 1.092590 0.000193
1823 625.789069 0.045399 1.090884 0.000192
1824 625.790544 -0.044762 1.089060 0.000192
1825 625.828270 -0.044325 1.088319 0.000192
1826 625.895146 0.044141 1.086671 0.000192
1827 625.991721 0.044122 1.085032 0.000191
1828 626.076511 0.044428 1.083151 0.000191
1829 626.185250 -0.044010 1.081254 0.000191
1830 626.218556 0.043934 1.080252 0.000191
1831 626.253336 0.044789 1.078115 0.000190
1832 626.305420 -0.043646 1.078531 0.000190
1833 626.305826 0.058254 1.075192 0.000190
1834 626.311222 0.043580 1.074994 0.000190
1835 626.658125 -0.043515 1.073116 0.000189
1836 626.724675 -0.043467 1.070960 0.000189
1837 626.929387 0.043254 1.069722 0.000189
1838 626.970619 -0.043449 1.068226 0.000188
1839 627.094435 0.043155 1.066414 0.000188
1840 627.209747 0.043060 1.065576 0.000188
1841 627.322784 -0.043366 1.069335 0.000189
1842 627.323531 -0.084760 1.061989 0.000187
1843 627.594781 0.045080 1.074665 0.000190
1844 627.595841 -0.109396 1.063048 0.000187
1845 627.596331 0.056129 1.060263 0.000187
1846 627.713073 -0.045359 1.059472 0.000187
1847 627.719145 -0.044393 1.058340 0.000187
1848 627.789090 -0.044274 1.056384 0.000186
1849 627.797104 -0.044539 1.055820 0.000186
1850 628.121175 -0.043908 1.054022 0.000186
1851 628.130496 -0.044135 1.052323 0.000186
1852 628.154676 0.043768 1.052071 0.000186
1853 628.332631 0.043544 1.053104 0.000186
1854 628.332860 -0.049708 1.050519 0.000185
1855 628.342129 0.043130 1.050726 0.000185
1856 628.342400 -0.051090 1.048285 0.000185
1857 628.417708 -0.043021 1.046828 0.000185
1858 628.586397 -0.043015 1.044241 0.000184
1859 628.725694 -0.042935 1.043215 0.000184
1860 628.850999 0.043823 1.041091 0.000184
1861 628.974280 -0.043153 1.039611 0.000183
1862 628.979699 -0.042983 1.037926 0.000183
1863 629.114826 0.042683 1.036079 0.000183
1864 629.213586 -0.042651 1.033825 0.000182
1865 629.233459 -0.043300 1.031655 0.000182
1866 629.353122 0.042606 1.029939 0.000182
1867 629.420663 -0.042546 1.029096 0.000181
1868 629.667688 0.042580 1.031138 0.000182
1869 629.668142 0.063159 1.026896 0.000181
1870 629.671023 -0.042534 1.025411 0.000181
1871 629.926994 -0.042224 1.024280 0.000181
1872 629.930847 -0.042188 1.023000 0.000180
1873 630.102803 -0.042124 1.020816 0.000180
1874 630.232110 -0.041905 1.020268 0.000180
1875 630.232311 0.042678 1.018968 0.000180
1876 630.308711 -0.041986 1.016778 0.000179
1877 630.338027 0.041840 1.016425 0.000179
1878 630.358369 -0.042274 1.015125 0.000179
1879 630.358974 -0.046631 1.012870 0.000179
1880 630.365704 -0.041807 1.011139 0.000178
1881 630.428417 -0.041723 1.009202 0.000178
1882 630.441667 -0.041718 1.008561 0.000178
1883 630.471892 0.045878 1.006563 0.000178
1884 630.523213 -0.041659 1.004281 0.000177
1885 630.664877 -0.041562 1.002042 0.000177
1886 630.665038 0.041432 1.000317 0.000176
1887 630.819636 -0.041388 0.999386 0.000176
1888 630.915699 -0.041319 0.998500 0.000176
1889 630.931064 -0.045040 0.996741 0.000176
1890 630.944454 0.041857 0.995044 0.000175
1891 631.031010 0.041363 0.993529 0.000175
1892 631.056204 0.040892 0.991654 0.000175
1893 631.195770 0.040746 0.989857 0.000175
1894 631.223474 0.040489 0.987983 0.000174
1895 631.250414 0.040349 0.985836 0.000174
1896 631.342713 -0.040511 0.984418 0.000174
1897 631.409075 -0.040216 0.984977 0.000174
1898 631.409657 0.046262 0.983200 0.000173
1899 631.414478 0.041661 0.987161 0.000174
1900 631.414809 0.078713 0.981020 0.000173
1901 631.590209 0.040627 0.981444 0.000173
1902 631.590397 0.049607 0.979173 0.000173
1903 631.739892 0.040677 0.978705 0.000173
1904 631.768273 0.040122 0.977018 0.000172
1905 631.929006 -0.040000 0.977910 0.000172
1906 631.937535 -0.039847 0.976811 0.000172
1907 632.047208 -0.039787 0.984396 0.000174
1908 632.047842 0.093758 0.976267 0.000172
1909 632.228652 -0.039756 0.974391 0.000172
1910 632.246253 -0.039652 0.973061 0.000172
1911 632.261770 -0.039461 0.972445 0.000172
1912 632.269067 -0.039394 0.970898 0.000171
1913 632.274433 -0.039779 0.969749 0.000171
1914 632.334399 -0.039390 0.968231 0.000171
1915 632.362399 0.039265 0.967285 0.000171
1916 632.384378 0.041096 0.964984 0.000170
1917 632.480311 -0.039208 0.963140 0.000170
1918 632.507120 -0.039169 0.961268 0.000170
1919 632.538888 0.039525 0.959259 0.000169
1920 632.548818 0.039116 0.957356 0.000169
1921 632.571600 -0.039959 0.955478 0.000169
1922 632.600460 -0.039077 0.954523 0.000168
1923 632.706611 0.039070 0.952898 0.000168
1924 632.706995 0.039332 0.951162 0.000168
1925 632.721219 -0.039285 0.949732 0.000168
1926 632.787204 -0.038949 0.948814 0.000167
1927 632.809080 -0.038946 0.946466 0.000167
1928 632.860270 -0.038933 0.945808 0.000167
1929 632.884495 0.040831 0.944670 0.000167
1930 632.925298 0.039497 0.943037 0.000166
1931 632.988263 0.039183 0.943377 0.000166
1932 633.038382 0.038923 0.939541 0.000166
1933 633.126586 0.038753 0.937102 0.000165
1934 633.191527 0.038571 0.935165 0.000165
1935 633.286599 -0.038523 0.933235 0.000165
1936 633.370732 0.038514 0.931060 0.000164
1937 633.444648 -0.038669 0.930692 0.000164
1938 633.445726 0.039396 0.929111 0.000164
1939 633.590941 0.038473 0.927351 0.000164
1940 633.633569 0.038441 0.925841 0.000163
1941 633.718209 -0.038426 0.925982 0.000163
1942 633.718332 -0.042089 0.923675 0.000163
1943 633.799615 -0.038415 0.923518 0.000163
1944 633.803668 0.038342 0.923030 0.000163
1945 634.010325 0.038257 0.921065 0.000162
1946 634.015390 -0.040072 0.919878 0.000162
1947 634.054584 0.039050 0.919030 0.000162
1948 634.075709 -0.039474 0.918554 0.000162
1949 634.117540 -0.039350 0.917257 0.000162
1950 634.137538 0.038569 0.915564 0.000161
1951 634.203765 -0.038340 0.914378 0.000161
1952 634.283716 -0.039737 0.915136 0.000161
1953 634.283978 -0.047842 0.912295 0.000161
1954 634.399507 -0.038648 0.912623 0.000161
1955 634.401956 0.042323 0.911148 0.000161
1956 634.427467 -0.039524 0.908756 0.000160
1957 634.478080 -0.038425 0.906159 0.000160
1958 634.748156 -0.038408 0.909087 0.000160
1959 634.748709 0.067237 0.903663 0.000159
1960 634.761134 0.038208 0.902402 0.000159
1961 634.874497 0.038163 0.900967 0.000159
1962 634.909812 0.038139 0.898575 0.000158
1963 634.962707 0.038045 0.897369 0.000158
1964 635.006471 -0.037989 0.897084 0.000158
1965 635.008973 0.043827 0.895260 0.000158
1966 635.028496 0.038687 0.893710 0.000158
1967 635.095149 -0.039655 0.892541 0.000157
1968 635.159407 -0.038072 0.891404 0.000157
1969 635.161983 -0.037821 0.889638 0.000157
1970 635.244019 -0.037791 0.888339 0.000157
1971 635.318959 0.038375 0.887363 0.000157
1972 635.319614 0.041893 0.885569 0.000156
1973 635.362166 -0.037957 0.884582 0.000156
1974 635.398539 -0.038434 0.883495 0.000156
1975 635.398637 -0.037724 0.881738 0.000156
1976 635.449324 0.038202 0.880640 0.000155
1977 635.472090 0.038443 0.878749 0.000155
1978 635.505094 -0.037680 0.877207 0.000155
1979 635.599954 -0.037611 0.876158 0.000155
1980 635.626160 0.037810 0.874562 0.000154
1981 635.639647 0.037606 0.874229 0.000154
1982 635.666950 -0.037540 0.872407 0.000154
1983 635.690551 -0.037471 0.871862 0.000154
1984 635.787176 0.037397 0.869836 0.000153
1985 635.841496 0.037381 0.868311 0.000153
1986 635.871495 -0.040599 0.866016 0.000153
1987 635.891309 0.037343 0.865413 0.000153
1988 635.893478 0.037258 0.864272 0.000152
1989 635.895487 -0.038400 0.862779 0.000152
1990 635.957619 -0.037175 0.860924 0.000152
1991 636.094963 -0.037132 0.859762 0.000152
1992 636.117804 0.036913 0.858558 0.000151
1993 636.248116 0.036896 0.858354 0.000151
1994 636.248296 -0.050743 0.854970 0.000151
1995 636.328761 -0.037230 0.853862 0.000151
1996 636.371052 -0.036886 0.852670 0.000150
1997 636.495434 -0.036883 0.850823 0.000150
1998 636.575916 0.037047 0.849823 0.000150
1999 636.633137 -0.036691 0.849994 0.000150
2000 636.633384 0.048232 0.847403 0.000149
2001 636.677812 0.036377 0.848069 0.000150
2002 636.677995 0.043150 0.845761 0.000149
2003 636.735269 0.037268 0.845118 0.000149
2004 636.736181 -0.038029 0.843640 0.000149
2005 636.881619 -0.036565 0.844391 0.000149
2006 636.881818 -0.044113 0.842213 0.000149
2007 636.894308 0.036338 0.842213 0.000149
2008 636.901339 0.040061 0.841331 0.000148
2009 636.937732 0.036405 0.839991 0.000148
2010 637.019935 0.036277 0.840006 0.000148
2011 637.020299 0.051823 0.837185 0.000148
2012 637.200437 0.036085 0.841722 0.000148
2013 637.200680 0.056834 0.837563 0.000148
2014 637.200864 0.040503 0.835481 0.000147
2015 637.214510 -0.036061 0.835382 0.000147
2016 637.214618 0.041026 0.833424 0.000147
2017 637.266573 0.036007 0.832000 0.000147
2018 637.314447 -0.036661 0.830291 0.000146
2019 637.346506 -0.035934 0.828499 0.000146
2020 637.351579 -0.036841 0.828493 0.000146
2021 637.358255 0.040003 0.829246 0.000146
2022 637.364236 0.039284 0.829697 0.000146
2023 637.369791 0.041715 0.826906 0.000146
2024 637.446723 0.035964 0.825166 0.000146
2025 637.505141 0.035917 0.823939 0.000145
2026 637.530702 0.036968 0.821671 0.000145
2027 637.622303 -0.035902 0.819549 0.000145
2028 637.649166 -0.035875 0.817661 0.000144
2029 637.667306 0.035856 0.816257 0.000144
2030 637.716004 -0.035758 0.814361 0.000144
2031 637.760067 -0.035686 0.812716 0.000143
2032 637.812970 -0.035610 0.811465 0.000143
2033 637.882407 0.036007 0.809755 0.000143
2034 637.883101 -0.035671 0.808988 0.000143
2035 637.883229 0.037914 0.807423 0.000142
2036 638.018011 0.035566 0.806928 0.000142
2037 638.106327 -0.035595 0.805463 0.000142
2038 638.146514 -0.035335 0.804370 0.000142
2039 638.192236 -0.035316 0.803483 0.000142
2040 638.196333 -0.037047 0.801607 0.000141
2041 638.286560 -0.035174 0.800219 0.000141
2042 638.340721 -0.035108 0.799545 0.000141
2043 638.401539 -0.035284 0.798993 0.000141
2044 638.434179 0.035051 0.797720 0.000141
2045 638.542841 -0.034642 0.796481 0.000140
2046 638.674142 0.034468 0.794450 0.000140
2047 638.791477 0.034443 0.794624 0.000140
2048 638.791582 -0.036297 0.792851 0.000140
2049 638.926656 0.034435 0.791851 0.000140
2050 639.028303 -0.036257 0.790269 0.000139
2051 639.158180 0.034282 0.789914 0.000139
2052 639.200304 -0.034088 0.788737 0.000139
2053 639.253214 -0.034056 0.787541 0.000139
2054 639.294389 -0.033869 0.786072 0.000139
2055 639.294542 0.033670 0.784359 0.000138
2056 639.358615 -0.033573 0.783477 0.000138
2057 639.411723 -0.034222 0.782317 0.000138
2058 639.476332 0.033514 0.781088 0.000138
2059 639.479746 0.033419 0.780357 0.000138
2060 639.490991 -0.033341 0.779335 0.000137
2061 639.542273 -0.033336 0.778600 0.000137
2062 639.593935 0.034138 0.777549 0.000137
2063 639.598741 -0.033513 0.777199 0.000137
2064 639.606304 -0.033319 0.775769 0.000137
2065 639.724413 0.033215 0.774576 0.000137
2066 639.756440 0.033391 0.773625 0.000136
2067 639.782986 -0.033027 0.772555 0.000136
2068 639.785534 0.036466 0.771084 0.000136
2069 639.803358 -0.034646 0.769733 0.000136
2070 639.889006 0.033127 0.768305 0.000136
2071 639.894497 -0.032989 0.766839 0.000135
2072 640.040062 -0.032860 0.764751 0.000135
2073 640.050188 0.033031 0.764365 0.000135
2074 640.050349 -0.033219 0.762736 0.000135
2075 640.122323 0.032794 0.761199 0.000134
2076 640.122400 -0.032830 0.760042 0.000134
2077 640.162095 0.032764 0.758671 0.000134
2078 640.280868 0.032754 0.758727 0.000134
2079 640.342473 -0.032559 0.756930 0.000133
2080 640.365640 0.032492 0.756326 0.000133
2081 640.365743 -0.033446 0.754889 0.000133
2082 640.366567 0.033785 0.753491 0.000133
2083 640.407285 -0.032473 0.752416 0.000133
2084 640.556457 -0.032298 0.750912 0.000132
2085 640.562044 0.032295 0.749304 0.000132
2086 640.587548 0.032290 0.748327 0.000132
2087 640.646298 0.032290 0.747150 0.000132
2088 640.646550 0.032204 0.745743 0.000132
2089 640.682715 -0.031964 0.744752 0.000131
2090 640.701356 -0.032425 0.745474 0.000131
2091 640.701474 0.037006 0.743763 0.000131
2092 640.715831 -0.031954 0.741833 0.000131
2093 640.768884 0.032144 0.741358 0.000131
2094 640.773012 -0.033247 0.740810 0.000131
2095 640.790200 -0.032126 0.739569 0.000130
2096 640.815803 -0.031931 0.738519 0.000130
2097 640.831349 -0.031988 0.737280 0.000130
2098 640.873694 0.031916 0.735632 0.000130
2099 640.876672 0.031806 0.733768 0.000129
2100 640.921358 -0.031761 0.732950 0.000129
2101 641.015136 0.031741 0.731581 0.000129
2102 641.032056 0.031718 0.730370 0.000129
2103 641.045996 0.031684 0.729162 0.000129
2104 641.091561 -0.031683 0.728397 0.000128
2105 641.096207 -0.032874 0.727673 0.000128
2106 641.105826 -0.033142 0.725607 0.000128
2107 641.116591 0.032510 0.723914 0.000128
2108 641.162720 0.031603 0.724203 0.000128
2109 641.215082 -0.032071 0.723677 0.000128
2110 641.215199 0.034613 0.722057 0.000127
2111 641.217346 0.032342 0.721203 0.000127
2112 641.257146 -0.031597 0.720538 0.000127
2113 641.279873 -0.032160 0.719059 0.000127
2114 641.302145 0.031485 0.718622 0.000127
2115 641.309813 0.033483 0.717803 0.000127
2116 641.313098 0.031883 0.716451 0.000126
2117 641.359483 -0.032083 0.715638 0.000126
2118 641.362645 -0.031344 0.713317 0.000126
2119 641.491971 0.031274 0.712047 0.000126
2120 641.618215 0.031128 0.712757 0.000126
2121 641.618340 -0.037261 0.711094 0.000125
2122 641.622239 0.031873 0.722193 0.000127
2123 641.623147 -0.094263 0.710048 0.000125
2124 641.715151 -0.031216 0.709831 0.000125
2125 641.731174 -0.031048 0.708206 0.000125
2126 641.734443 0.030981 0.707194 0.000125
2127 641.799444 0.030909 0.705908 0.000124
2128 641.854602 0.030867 0.704244 0.000124
2129 641.901152 0.030826 0.702571 0.000124
2130 641.902493 0.030722 0.701462 0.000124
2131 641.946242 0.030537 0.699699 0.000123
2132 642.021091 -0.030929 0.698217 0.000123
2133 642.114220 -0.030820 0.696573 0.000123
2134 642.288257 -0.030517 0.694951 0.000123
2135 642.296762 0.030286 0.693992 0.000122
2136 642.419860 -0.030279 0.693043 0.000122
2137 642.515489 0.030209 0.692205 0.000122
2138 642.523616 -0.030209 0.691168 0.000122
2139 642.628082 0.030235 0.689758 0.000122
2140 642.650608 -0.030138 0.688512 0.000121
2141 642.657798 -0.030094 0.688090 0.000121
2142 642.659452 -0.030068 0.687263 0.000121
2143 642.757206 0.030094 0.686497 0.000121
2144 642.817338 0.029862 0.685039 0.000121
2145 642.826399 -0.029733 0.684348 0.000121
2146 642.830364 0.031393 0.683339 0.000121
2147 642.838824 -0.029698 0.682138 0.000120
2148 642.885392 -0.029691 0.680299 0.000120
2149 642.932735 -0.029665 0.679390 0.000120
2150 642.939635 -0.029586 0.678357 0.000120
2151 643.009641 0.029567 0.677276 0.000119
2152 643.021914 -0.029523 0.676370 0.000119
2153 643.089994 -0.029567 0.675092 0.000119
2154 643.091448 0.029487 0.673964 0.000119
2155 643.121076 -0.029373 0.672935 0.000119
2156 643.154186 0.029352 0.671228 0.000118
2157 643.165472 -0.029267 0.670902 0.000118
2158 643.173159 -0.029142 0.669866 0.000118
2159 643.228719 0.029277 0.668874 0.000118
2160 643.280806 0.029027 0.666830 0.000118
2161 643.337440 -0.028937 0.665841 0.000117
2162 643.388750 -0.028700 0.664573 0.000117
2163 643.397769 0.028693 0.663293 0.000117
2164 643.401325 0.028661 0.661782 0.000117
2165 643.439271 0.028507 0.660753 0.000117
2166 643.548303 -0.028535 0.659547 0.000116
2167 643.597134 0.028502 0.657860 0.000116
2168 643.680727 0.028495 0.656312 0.000116
2169 643.689393 0.028480 0.655247 0.000116
2170 643.738053 0.028393 0.654058 0.000115
2171 643.786556 0.028390 0.652776 0.000115
2172 643.873662 -0.028664 0.651700 0.000115
2173 643.905091 0.028338 0.650625 0.000115
2174 643.933290 0.028181 0.649695 0.000115
2175 643.941352 0.028131 0.648185 0.000114
2176 643.941586 0.028096 0.647048 0.000114
2177 643.982656 0.028083 0.645830 0.000114
2178 644.025524 -0.028056 0.644214 0.000114
2179 644.109223 0.028006 0.643577 0.000114
2180 644.109322 -0.030826 0.641935 0.000113
2181 644.136376 0.027694 0.641228 0.000113
2182 644.136996 -0.029147 0.639875 0.000113
2183 644.150790 0.028564 0.639274 0.000113
2184 644.153319 0.027953 0.639206 0.000113
2185 644.164620 0.027753 0.638877 0.000113
2186 644.166614 0.029366 0.637364 0.000112
2187 644.183051 -0.027731 0.636008 0.000112
2188 644.195063 0.027689 0.634756 0.000112
2189 644.268178 -0.027656 0.633794 0.000112
2190 644.274146 0.027640 0.632510 0.000112
2191 644.314772 -0.027619 0.631607 0.000111
2192 644.351178 -0.028038 0.629944 0.000111
2193 644.396543 -0.027850 0.628885 0.000111
2194 644.476000 0.027589 0.627966 0.000111
2195 644.547349 -0.027479 0.627236 0.000111
2196 644.576361 0.027416 0.625787 0.000110
2197 644.602198 -0.027388 0.624996 0.000110
2198 644.677711 0.027384 0.623343 0.000110
2199 644.712362 0.027172 0.622423 0.000110
2200 644.760867 -0.027171 0.621375 0.000110
2201 644.789355 -0.027132 0.621041 0.000110
2202 644.799455 -0.027082 0.619162 0.000109
2203 644.841789 -0.026991 0.617959 0.000109
2204 644.866341 -0.026910 0.617433 0.000109
2205 644.866463 -0.032766 0.615874 0.000109
2206 644.963822 -0.026901 0.614716 0.000108
2207 644.970103 0.026861 0.613761 0.000108
2208 645.043818 -0.027112 0.612417 0.000108
2209 645.044373 -0.026845 0.610952 0.000108
2210 645.130777 -0.026844 0.609828 0.000108
2211 645.149615 -0.026779 0.609135 0.000107
2212 645.152537 -0.027293 0.608920 0.000107
2213 645.202497 0.026746 0.607579 0.000107
2214 645.243659 -0.026674 0.605818 0.000107
2215 645.276025 0.026609 0.605386 0.000107
2216 645.284267 -0.027292 0.604413 0.000107
2217 645.409132 0.026514 0.603425 0.000106
2218 645.502537 0.026461 0.602046 0.000106
2219 645.519769 0.026223 0.600947 0.000106
2220 645.527613 0.026162 0.600213 0.000106
2221 645.576818 0.026110 0.599988 0.000106
2222 645.590407 0.026094 0.599034 0.000106
2223 645.613576 0.026009 0.597840 0.000105
2224 645.680878 -0.025991 0.596637 0.000105
2225 645.705789 0.025867 0.595653 0.000105
2226 645.709319 -0.025841 0.594911 0.000105
2227 645.709510 0.026066 0.593636 0.000105
2228 645.757431 0.025768 0.592289 0.000104
2229 645.825214 -0.025786 0.591259 0.000104
2230 645.915987 0.025699 0.590117 0.000104
2231 645.916208 0.025698 0.589137 0.000104
2232 645.952058 0.025627 0.588160 0.000104
2233 645.966507 0.025626 0.587088 0.000104
2234 645.973104 0.025487 0.585861 0.000103
2235 646.018156 -0.025486 0.584781 0.000103
2236 646.051569 0.025466 0.583923 0.000103
2237 646.063584 0.025414 0.582946 0.000103
2238 646.069354 0.025329 0.581817 0.000103
2239 646.080921 -0.025314 0.580836 0.000102
2240 646.107899 0.025301 0.580116 0.000102
2241 646.108310 0.025974 0.578838 0.000102
2242 646.130316 0.025297 0.577940 0.000102
2243 646.133220 -0.025300 0.577062 0.000102
2244 646.170752 -0.025266 0.575946 0.000102
2245 646.216917 -0.025307 0.574678 0.000101
2246 646.275841 -0.025078 0.573134 0.000101
2247 646.314038 0.025063 0.571942 0.000101
2248 646.346910 -0.025058 0.570877 0.000101
2249 646.383813 -0.025027 0.569695 0.000100
2250 646.405757 0.025007 0.568886 0.000100
2251 646.468666 0.024970 0.567522 0.000100
2252 646.470783 0.024896 0.566079 0.000100
2253 646.493789 -0.024888 0.565214 0.000100
2254 646.535296 0.024881 0.564161 0.000099
2255 646.591019 0.024881 0.562917 0.000099
2256 646.645508 -0.024948 0.562000 0.000099
2257 646.685397 0.024762 0.560969 0.000099
2258 646.689455 0.024733 0.559169 0.000099
2259 646.766161 -0.024704 0.558007 0.000098
2260 646.776563 0.024625 0.557043 0.000098
2261 646.791005 -0.024770 0.556477 0.000098
2262 646.872327 0.024590 0.555764 0.000098
2263 646.959142 -0.024584 0.555296 0.000098
2264 646.959239 0.029120 0.553546 0.000098
2265 647.014231 0.024553 0.552457 0.000097
2266 647.015289 -0.024872 0.551334 0.000097
2267 647.042789 0.024966 0.550202 0.000097
2268 647.080410 -0.024487 0.549390 0.000097
2269 647.083292 -0.025457 0.548645 0.000097
2270 647.092932 -0.024463 0.547356 0.000097
2271 647.150609 0.024328 0.546192 0.000096
2272 647.166462 -0.024317 0.545416 0.000096
2273 647.176840 -0.024343 0.544335 0.000096
2274 647.211046 0.024434 0.543662 0.000096
2275 647.222633 -0.024212 0.543243 0.000096
2276 647.225127 -0.024168 0.543541 0.000096
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6759 654.102329 0.000012 0.000226 0.000000
6760 654.102329 -0.000010 0.000226 0.000000
6761 654.102329 -0.000010 0.000225 0.000000
6762 654.102329 -0.000010 0.000225 0.000000
6763 654.102329 0.000010 0.000225 0.000000
6764 654.102329 0.000010 0.000224 0.000000
6765 654.102329 0.000010 0.000224 0.000000
6766 654.102329 -0.000010 0.000223 0.000000
6767 654.102329 -0.000010 0.000223 0.000000
6768 654.102329 0.000010 0.000222 0.000000
6769 654.102329 -0.000010 0.000222 0.000000
6770 654.102329 -0.000010 0.000222 0.000000
6771 654.102329 0.000011 0.000223 0.000000
6772 654.102329 -0.000018 0.000222 0.000000
6773 654.102329 0.000010 0.000221 0.000000
6774 654.102329 0.000010 0.000221 0.000000
6775 654.102329 -0.000010 0.000222 0.000000
6776 654.102329 -0.000018 0.000221 0.000000
6777 654.102329 -0.000010 0.000220 0.000000
6778 654.102329 -0.000010 0.000220 0.000000
6779 654.102329 -0.000010 0.000219 0.000000
6780 654.102329 0.000010 0.000219 0.000000
6781 654.102329 0.000010 0.000219 0.000000
6782 654.102329 -0.000010 0.000219 0.000000
6783 654.102329 0.000010 0.000218 0.000000
6784 654.102329 -0.000010 0.000218 0.000000
6785 654.102329 0.000010 0.000217 0.000000
6786 654.102329 0.000010 0.000217 0.000000
6787 654.102329 -0.000010 0.000217 0.000000
6788 654.102329 0.000010 0.000217 0.000000
6789 654.102329 -0.000010 0.000216 0.000000
6790 654.102329 -0.000011 0.000216 0.000000
6791 654.102329 0.000010 0.000216 0.000000
6792 654.102329 -0.000010 0.000216 0.000000

Number of molecular orbitals : 99
Number of pi orbitals :  27
Number of occupied pi orbitals :  3
Number of virtual pi orbitals :  24
Number of sigma orbitals :  72
Number of occupied sigma orbitals :  12
Number of virtual sigma orbitals :  54

All MOs before the localization Average : 12.8873448457; Median : 11.9305172122; Variance : 33.91086092; Standard deviation : 5.82330326533
All MOs after the localization Average : 3.48774797073; Median : 2.28183070035; Variance : 5.37256282737; Standard deviation : 2.31787895011

Distribution of the spatial extent, before localization / sorting before localization / after localization / sorting after localization =



         -- 1 -- -- 2 --   -- 3 --   -- 4 --
       1   5.11463 4.47174 0.0713009 0.0687814
       2   5.13306 4.56694 0.0687814 0.0703361
       3   6.79613 5.11463 0.0703361 0.0713009
       4   4.47174 5.13306 0.0976515 0.0954572
       5   4.56694 5.46068   0.10046 0.0976515
       6   6.05506 6.05506 0.0954572   0.10046
       7   7.70958 6.22579   1.76691   1.49358
       8   9.37634 6.22831   1.76691    1.4938
       9   9.36825 6.79613   1.76675   1.49389
      10    12.663 7.28549   1.76674   1.60064
      11   12.7324 7.29374   1.76678   1.60124
      12   10.9968 7.70958   2.11921    1.6013
      13   14.4664 7.82599   2.14416   1.60169
      14   9.23177 8.33286   2.11937   1.60181
      15   9.24727 8.60643   2.11922   1.60386
      16   8.33286 8.68593   1.76679   1.76674
      17   9.79263 8.79822   2.14398   1.76675
      18    9.8187 8.84928   2.14417   1.76678
      19   8.60643 8.94362   5.31178   1.76679
      20   9.15013 8.99974   5.31178   1.76691
      21   9.16231 9.08375   5.32469   1.76691
      22    9.2278 9.15013   3.49012   1.81241
      23   9.08375 9.16231   2.28137   1.81242
      24   8.84928  9.2278   3.48855   1.81274
      25   6.22831 9.23177   4.03987   2.11246
      26   6.22579 9.24727   3.48853   2.11247
      27   5.46068 9.32874   8.86562   2.11248
      28   7.29374  9.3329   5.28222   2.11255
      29   7.28549 9.36825   2.28183   2.11255
      30   8.68593 9.37634   8.86707   2.11262
      31   14.7696 9.79263   5.28231   2.11921
      32   13.2519  9.8187   1.81242   2.11922
      33   13.2774 10.0648    4.0399   2.11937
      34   14.2532 10.1369   2.28136   2.14398
      35   14.2058 10.1739   5.28293   2.14416
      36   13.9782 10.3658   2.28123   2.14417
      37   11.9779 10.9968   1.81241   2.14594
      38   11.9305 11.1607   3.48706   2.14598
      39   8.79822 11.1705   2.28125   2.14624
      40   10.0648 11.2978   3.49015   2.14635
      41   11.5746 11.4364   8.86565   2.14635
      42     11.59 11.4466   2.28184   2.14651
      43    11.803 11.5327   1.81274   2.15236
      44   11.1607 11.5746   4.04384   2.15242
      45   11.1705   11.59   3.48707   2.15295
      46   8.99974 11.6726   2.15242   2.28123
      47   10.1369 11.6775   2.14598   2.28125
      48   10.1739  11.803   2.11262   2.28136
      49   8.94362 11.9035    1.4938   2.28137
      50   11.4364 11.9305    1.6013   2.28183
      51   9.32874 11.9779   1.49389   2.28184
      52    9.3329 12.1039   7.29436   2.95884
      53   12.3132 12.2058   1.60386   2.95902
      54   12.2058 12.2444   1.49358   2.95903
      55   11.4466 12.3132   5.14166   2.95909
      56   11.2978 12.3179   7.29562   2.95912
      57   14.6056 12.3353   1.60169   2.95975
      58   14.6393  12.663   2.14594   3.48706
      59   13.5858 12.7324   2.14624   3.48707
      60   13.6949 13.1873   5.14137   3.48853
      61   13.7053 13.2259   2.95912   3.48855
      62   16.8176 13.2519   2.95884   3.49012
      63   7.82599 13.2761   4.11951   3.49015
      64   14.7718 13.2774   2.11247   4.03987
      65   12.3353 13.2932   2.15236    4.0399
      66   12.3179 13.5858   4.33125   4.04384
      67   12.1039 13.5911   4.33431   4.11935
      68   11.9035 13.6949   1.60181   4.11937
      69   13.2761 13.7053   2.14651   4.11951
      70   13.2259 13.7291   4.11937   4.11952
      71   13.1873 13.9782   7.29576   4.11953
      72   11.5327 14.2058   4.12043   4.12043
      73   12.2444 14.2532   1.60064   4.33125
      74   13.7291 14.4169   4.11952   4.33338
      75   13.5911 14.4664   2.11255   4.33431
      76   11.6726 14.6056   4.33338   5.14137
      77   11.6775 14.6393    7.2957   5.14161
      78   14.4169 14.7696   8.50418   5.14166
      79   10.3658 14.7718   8.50196   5.28222
      80   16.3447 15.0651   4.11953   5.28231
      81   13.2932 15.0981   2.11246   5.28293
      82   15.0981 16.3447   5.14161   5.31178
      83   15.0651 16.8176   2.11255   5.31178
      84   19.3335 17.9074   8.50102   5.32469
      85   18.5503 17.9853   2.95902   7.29436
      86   18.5436  18.199   2.14635   7.29526
      87   18.7902 18.5436   2.14635   7.29562
      88    20.522 18.5503   7.29526    7.2957
      89   19.8167 18.7902   2.95903   7.29576
      90    19.784 19.3335   1.60124   7.29615
      91   22.1095  19.784   2.15295   8.17918
      92   22.0781 19.8167   2.95909   8.17935
      93    18.199  20.522   2.95975   8.17976
      94   17.9853 22.0781   4.11935   8.50102
      95   17.9074 22.1095   7.29615   8.50196
      96   28.7524 28.7524   2.11248   8.50418
      97   33.5346 33.1567   8.17976   8.86562
      98   33.1567 33.5346   8.17935   8.86565
      99   39.2014 39.2014   8.17918   8.86707


Occupied orbitals :  Number of molecular orbitals : 15
Occupied orbitals before localization Average : 10.0436611091; Median : 9.36825366851; Variance : 3.49167857488; Standard deviation : 1.86860337549
Occupied orbitals after localization Average : 2.62261560452; Median : 2.1192182072; Variance : 1.9718440664; Standard deviation : 1.40422365256


Core orbitals :  Number of molecular orbitals : 6
Core orbitalses before localization :  Average : 10.4744055596; Median : 10.1865797503; Variance : 4.04703071323; Standard deviation : 2.01172331925
Core orbitals after localization :  Average : 1.82554909268; Median : 1.76684354357; Variance : 0.0206970872404; Standard deviation : 0.143864822804


Valence orbitals :  Number of molecular orbitals : 9
Valence orbitals before localization :  Average : 9.75649814217; Median : 9.23177367039; Variance : 3.34911733326; Standard deviation : 1.83005937971
Valence rbitals after localization :  Average : 3.15399327909; Median : 2.14416489994; Variance : 2.64364765629; Standard deviation : 1.62592978209


Virtual orbitals :  Number of molecular orbitals : 84
Virtual orbitals before localization :  Average : 13.395145513; Median : 12.278757415; Variance : 37.7279812617; Standard deviation : 6.14231074285
Virtual orbitals after localization :  Average : 3.64223589327; Median : 2.9590570681; Variance : 5.85149087298; Standard deviation : 2.41898550491

+ qp set_file triazine.localized
+ case $1 in
+ [[ -d triazine.localized ]]
+ ezfio set_file triazine.localized
+ case $1 in
+ shift
+ _ezfio_set_file triazine.localized
+ _require_first_argument triazine.localized
+ [[ -z triazine.localized ]]
+ return 0
+ [[ ! -d triazine.localized ]]
+ export EZFIO_FILE=triazine.localized
+ EZFIO_FILE=triazine.localized
+ _ezfio_info 'Set file triazine.localized'
+ :
+ return 0
+ qp set determinants n_states 1
+ case $1 in
+ ezfio set determinants n_states 1
+ case $1 in
+ shift
+ _ezfio_set determinants n_states 1
+ _require_ezfio_file
+ [[ -z triazine.localized ]]
+ [[ ! -d triazine.localized ]]
+ _require_first_argument determinants n_states 1
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants n_states 1
+ [[ -z n_states ]]
+ [[ -z 1 ]]
+ echo 1
+ _ezfio_py set determinants n_states
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_states
+ return 0
+ qp set determinants read_wf False
+ case $1 in
+ ezfio set determinants read_wf False
+ case $1 in
+ shift
+ _ezfio_set determinants read_wf False
+ _require_ezfio_file
+ [[ -z triazine.localized ]]
+ [[ ! -d triazine.localized ]]
+ _require_first_argument determinants read_wf False
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants read_wf False
+ [[ -z read_wf ]]
+ [[ -z False ]]
+ _ezfio_py set determinants read_wf
+ echo False
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants read_wf
+ return 0
+ qp set determinants s2_eig False
+ case $1 in
+ ezfio set determinants s2_eig False
+ case $1 in
+ shift
+ _ezfio_set determinants s2_eig False
+ _require_ezfio_file
+ [[ -z triazine.localized ]]
+ [[ ! -d triazine.localized ]]
+ _require_first_argument determinants s2_eig False
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants s2_eig False
+ [[ -z s2_eig ]]
+ [[ -z False ]]
+ echo False
+ _ezfio_py set determinants s2_eig
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants s2_eig
+ return 0
+ qp set determinants n_det_max 1e8
+ case $1 in
+ ezfio set determinants n_det_max 1e8
+ case $1 in
+ shift
+ _ezfio_set determinants n_det_max 1e8
+ _require_ezfio_file
+ [[ -z triazine.localized ]]
+ [[ ! -d triazine.localized ]]
+ _require_first_argument determinants n_det_max 1e8
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants n_det_max 1e8
+ [[ -z n_det_max ]]
+ [[ -z 1e8 ]]
+ echo 1e8
+ _ezfio_py set determinants n_det_max
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_det_max
+ return 0
+ qp run fci
+ case $1 in
+ which qp_run
+ [[ 0 -eq 0 ]]
+ COMMAND='qp_$@'
+ eval 'qp_$@' triazine.localized
++ qp_run fci triazine.localized
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