Debian NEW package overview for pymatgen-test-files
pymatgen-test-files_2022.0.17-1_amd64.changes (click to toggle)
Format:1.8
Date:Tue, 14 Dec 2021 16:00:15 +0100
Source:pymatgen-test-files
Binary:pymatgen-test-files
Architecture:source all
Version:2022.0.17-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Drew Parsons <dparsons@debian.org>
Description:
pymatgen-test-files - Python Materials Genomics for materials analysis (test files)
Closes:1000711
Changes:
pymatgen-test-files (2022.0.17-1) unstable; urgency=medium

  * Initial release (Closes: #1000711)
  * Debian packaging adapted from pymatgen package,
    using debian/copyright to separate test files from main code
  * use lintian overrides to ignore national-encoding warning on
    magnetic.example.NiO.mcif, and file-included-already warning on
    test_files/*
Files:
df46f0d2080d6b8876ba380ff74537e6 2049 python optional pymatgen-test-files_2022.0.17-1.dsc
1b061447151582584093554ac173da73 151820648 python optional pymatgen-test-files_2022.0.17.orig.tar.xz
fe074a2db1483dc16d485c083338d654 3088 python optional pymatgen-test-files_2022.0.17-1.debian.tar.xz
2deafd3da3c0c8e271b05d66677271e8 152072756 python optional pymatgen-test-files_2022.0.17-1_all.deb
f38522b3953495c52d6e64c60f691db6 5826 python optional pymatgen-test-files_2022.0.17-1_amd64.buildinfo
pymatgen-test-files_2022.0.17-1.dsc (click to toggle)
Format:3.0 (quilt)
Source:pymatgen-test-files
Binary:pymatgen-test-files
Architecture:all
Version:2022.0.17-1
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:Drew Parsons <dparsons@debian.org>
Homepage:https://pymatgen.org/
Standards-Version:4.6.0
Vcs-Browser:https://salsa.debian.org/debichem-team/pymatgen-test-files
Vcs-Git:https://salsa.debian.org/debichem-team/pymatgen-test-files.git
Build-Depends:debhelper-compat (=13)
Package-List:pymatgen-test-files deb python optional arch=all
Files:
1b061447151582584093554ac173da73 151820648 pymatgen-test-files_2022.0.17.orig.tar.xz
fe074a2db1483dc16d485c083338d654 3088 pymatgen-test-files_2022.0.17-1.debian.tar.xz
lintian 2.94.0~bpo10+1 check for pymatgen-test-files_2022.0.17-1.dsc (click to toggle)
README.source for pymatgen-test-files_2022.0.17-1.dsc (click to toggle)
pymatgen test files for Debian
------------------------------

This package provides pymatgen test files, split from the upstream
source tarball (from the upstream git repository).

The test files have been split from the program source since they are
large in size (> 700 MB). This split allows the main pymatgen source
package use less storage space, expecting that test files will not
change as often as the main program files.
control file for pymatgen-test-files_2022.0.17-1_all.deb (click to toggle)
Package:pymatgen-test-files
Version:2022.0.17-1
Architecture:all
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:794017
Recommends:python3-pymatgen
Section:python
Priority:optional
Homepage:https://pymatgen.org/
Description:
Python Materials Genomics for materials analysis (test files)
 Pymatgen (Python Materials Genomics) is a robust, open-source Python
 library for materials analysis. These are some of the main features:
 .
 1.Highly flexible classes for the representation of Element, Site,
 Molecule, Structure objects.
 .
 2. Extensive input/output support, including support for VASP
 (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/),
 CIF, Gaussian, XYZ, and many other file formats.
 .
 3. Powerful analysis tools, including generation of phase diagrams,
 Pourbaix diagrams, diffusion analyses, reactions, etc.
 .
 4. Electronic structure analyses, such as density of states and band
 structure.
 .
 5. Integration with the Materials Project REST API, Crystallography
 Open Database.
 .
 This package provides the test files used by pymatgen tests.
lintian 2.94.0~bpo10+1 check for pymatgen-test-files_2022.0.17-1_all.deb (click to toggle)
contents of pymatgen-test-files_2022.0.17-1_all.deb (click to toggle)
drwxr-xr-x root/root         0 2021-12-14 15:00 ./
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/
-rw-r--r-- root/root      4727 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/README.rst.gz
-rw-r--r-- root/root       315 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/changelog.Debian.gz
-rw-r--r-- root/root     28445 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/changelog.gz
-rw-r--r-- root/root      1727 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/copyright
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/
-rw-r--r-- root/root     22246 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ATOMS
-rw-r--r-- root/root       853 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/AgO_kpath_test.cif
-rw-r--r-- root/root      1368 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Al3F9.json
-rw-r--r-- root/root      2879 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Al3F9_distorted.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/
-rw-r--r-- root/root    692018 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/POTCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_1_polarization/
-rw-r--r-- root/root    164161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_1_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_1_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_2_polarization/
-rw-r--r-- root/root    164161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_2_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_2_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_3_polarization/
-rw-r--r-- root/root    164161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_3_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_3_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_4_polarization/
-rw-r--r-- root/root    164161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_4_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_4_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_5_polarization/
-rw-r--r-- root/root    164161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_5_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_5_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_6_polarization/
-rw-r--r-- root/root    160479 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_6_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_6_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_7_polarization/
-rw-r--r-- root/root    164309 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_7_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_7_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_8_polarization/
-rw-r--r-- root/root    164161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_8_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/interpolation_8_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/nonpolar_polarization/
-rw-r--r-- root/root    158369 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/nonpolar_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/nonpolar_polarization/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/polar_polarization/
-rw-r--r-- root/root    232676 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/polar_polarization/OUTCAR
-rw-r--r-- root/root       264 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/BTO_221_99_polarization/polar_polarization/POSCAR
-rw-r--r-- root/root     17528 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/C26H16BeN2O2S2.cif
-rw-r--r-- root/root  13621327 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CHGCAR.Fe3O4
-rw-r--r-- root/root   7092414 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CHGCAR.Fe3O4_ref
-rw-r--r-- root/root   4890917 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/CHGCAR.NiO_SOC.gz
-rw-r--r-- root/root    596890 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CHGCAR.nospin
-rw-r--r-- root/root   4026362 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CHGCAR.spin
-rw-r--r-- root/root     10859 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CONTCAR.Li2O
-rw-r--r-- root/root     13279 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CONTCAR.MD
-rw-r--r-- root/root      7808 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CON_vesta.xyz
-rw-r--r-- root/root  20540968 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/C_48_bandstructure.json
-rw-r--r-- root/root     24025 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CaMoO2_batt.json
-rw-r--r-- root/root     28710 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CaO_2605_bandstructure.json
-rw-r--r-- root/root       735 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CaO_2605_structure.json
-rw-r--r-- root/root      1751 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CoO19128.cif
-rw-r--r-- root/root     28970 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Cod_2100513.cif
-rw-r--r-- root/root     13785 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Cod_4115344.cif
-rw-r--r-- root/root     10878 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CsI3Pb.cif
-rw-r--r-- root/root      1109 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CsSnI3.cif
-rw-r--r-- root/root   1719522 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Cu2O_361_bandstructure.json
-rw-r--r-- root/root   2017444 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Cu2O_361_bandstructure_continuous.json
-rw-r--r-- root/root      5102 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Cu7Te5.cif
-rw-r--r-- root/root      1396 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/CuCl.cif
-rw-r--r-- root/root     74405 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Cu_30_bandstructure.json
-rw-r--r-- root/root      1349 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/DOSCAR.lobster.nonspin
-rw-r--r-- root/root      2009 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/DOSCAR.lobster.spin
-rw-r--r-- root/root       723 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/DYNMAT
-rw-r--r-- root/root      1161 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/EDI.cssr
-rw-r--r-- root/root      1772 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/EDI.xr
-rw-r--r-- root/root      1191 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/EDI_oxistate_decorated.cssr
-rw-r--r-- root/root      1942 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/EDI_voro.xyz
-rw-r--r-- root/root     24161 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/EIGENVAL.gz
-rw-r--r-- root/root      7649 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/EIGENVAL.ispin2.gz
-rw-r--r-- root/root      9153 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/EIGENVAL_separate_spins.gz
-rw-r--r-- root/root    114114 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/ELFCAR.gz
-rw-r--r-- root/root      2442 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/EnumerateTest.json
-rw-r--r-- root/root      3885 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Fe.cif
-rw-r--r-- root/root     12659 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Fe2O3_exp.json
-rw-r--r-- root/root      2206 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Fe3O4.cif
-rw-r--r-- root/root     32177 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/FeF3_batt.json
-rw-r--r-- root/root      2601 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/FePO4a.cif
-rw-r--r-- root/root      1806 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Graphite.cif
-rw-r--r-- root/root      1125 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/H6PbCI3N_mp-977013_symmetrized.cif
-rw-r--r-- root/root       495 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/HEADER
-rw-r--r-- root/root      8157 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/IBZKPT.lobster
-rw-r--r-- root/root      2628 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ICSD59959.cif
-rw-r--r-- root/root       483 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/INCAR
-rw-r--r-- root/root       285 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/INCAR.2
-rw-r--r-- root/root       284 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/INCAR.3
-rw-r--r-- root/root       258 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/INCAR.lobster
-rw-r--r-- root/root       259 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/INCAR.lobster2
-rw-r--r-- root/root       246 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/INCAR.lobster3
-rw-r--r-- root/root     56206 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/InN_22205_bandstructure.json
-rw-r--r-- root/root        76 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS
-rw-r--r-- root/root        57 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS.auto
-rw-r--r-- root/root       859 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS.band
-rw-r--r-- root/root        89 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS.cartesian
-rw-r--r-- root/root       100 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS.explicit
-rw-r--r-- root/root       145 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS.explicit_tet
-rw-r--r-- root/root        99 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS.forcehybridlikecalc
-rw-r--r-- root/root       855 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS_Si_bands
-rw-r--r-- root/root     26331 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/KPOINTS_band.lobster
-rw-r--r-- root/root    596629 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LOCPOT
-rw-r--r-- root/root      1569 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/La4Fe4O12.cif
-rw-r--r-- root/root      3082 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LaMnO3_magnetic.mcif
-rw-r--r-- root/root    455144 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li-Fe-P-O_entries.json
-rw-r--r-- root/root       693 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li.cif
-rw-r--r-- root/root      1834 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li10GeP2S12.cif
-rw-r--r-- root/root      5517 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li2O.cif
-rw-r--r-- root/root      5641 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li3GaPCO7.json
-rw-r--r-- root/root      2862 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li4Fe3Mn1(PO4)4.cif
-rw-r--r-- root/root      6007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li4Fe3Mn1(PO4)4.json
-rw-r--r-- root/root      2047 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li8Fe2NiCoO8.cif
-rw-r--r-- root/root    103562 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LiCoO2_batt.json
-rw-r--r-- root/root      2863 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LiFePO4.cif
-rw-r--r-- root/root      1516 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LiFePO4.vasp
-rw-r--r-- root/root      3310 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LiMn2O4.json
-rw-r--r-- root/root     52933 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LiTiO2_batt.json
-rw-r--r-- root/root     77687 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Li_no_projected.xml
-rw-r--r-- root/root      4234 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LobsterCompleteDos_MnO.json
-rw-r--r-- root/root      3040 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LobsterCompleteDos_MnO_nonspin.json
-rw-r--r-- root/root      2381 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LobsterCompleteDos_nonspin.json
-rw-r--r-- root/root      3083 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/LobsterCompleteDos_spin.json
-rw-r--r-- root/root      1561 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/MP2020Compatibility_alternate.yaml
-rw-r--r-- root/root     15534 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/MgVO_batt.json
-rw-r--r-- root/root      3441 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Mg_batt.json
-rw-r--r-- root/root     43040 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Mn-O_entries.json
-rw-r--r-- root/root      1929 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Mn3Ge_IR2.mcif
-rw-r--r-- root/root    144133 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/MnO2_batt.json
-rw-r--r-- root/root      4924 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/MultiStructure.cif
-rw-r--r-- root/root   3571495 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/N2_12103_bandstructure.json
-rw-r--r-- root/root      5875 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Na2Fe2PAsO4S4.json
-rw-r--r-- root/root      5887 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Na2Fe2PNO4Se4.json
-rw-r--r-- root/root     13581 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/NaCl_complete_ph_dos.json
-rw-r--r-- root/root      7542 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/NaCl_ph_dos.json
-rw-r--r-- root/root    281891 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/NaCl_phonon_bandstructure.json
-rw-r--r-- root/root     81873 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/NiO_19009_bandstructure.json
-rw-r--r-- root/root     38262 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OSZICAR
-rw-r--r-- root/root   6224660 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR
-rw-r--r-- root/root    229104 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.Al
-rw-r--r-- root/root    232676 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.BaTiO3.polar
-rw-r--r-- root/root   3029065 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.CL
-rw-r--r-- root/root    228160 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.LOPTICS
-rw-r--r-- root/root    160873 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.LOPTICS.vasp544
-rw-r--r-- root/root    211497 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.LaSnNO2.polar
-rw-r--r-- root/root     53817 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.LinearResponseU.gz
-rw-r--r-- root/root     45039 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.NiO_SOC.gz
-rw-r--r-- root/root     22940 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.bad_core_poten.gz
-rw-r--r-- root/root    261831 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.dielectric
-rw-r--r-- root/root    359632 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.electrostaticerror.gz
-rw-r--r-- root/root    936708 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.gz
-rw-r--r-- root/root     82352 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.icorelevel
-rw-r--r-- root/root   3347978 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.lepsilon
-rw-r--r-- root/root    512475 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.lepsilon.gz
-rw-r--r-- root/root   3347914 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.lepsilon_old_born
-rw-r--r-- root/root    470520 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.lepsilon_old_born.gz
-rw-r--r-- root/root   7038078 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.stopped
-rw-r--r-- root/root    146488 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.total_tensor.Li2O.gz
-rw-r--r-- root/root    923841 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR.vasp.6.2.0
-rw-r--r-- root/root    123727 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR_fc
-rw-r--r-- root/root     69415 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR_merged_numbers
-rw-r--r-- root/root    282329 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OUTCAR_merged_numbers2
-rw-r--r-- root/root       704 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/OneLineSymmP1.cif
-rw-r--r-- root/root     27563 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/P24Ru4H252C296S24N16.cif
-rw-r--r-- root/root       299 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PARAMETERS
-rw-r--r-- root/root       299 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PARAMETERS.2
-rw-r--r-- root/root      6374 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1002871.cif
-rw-r--r-- root/root      4062 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1011081.cif
-rw-r--r-- root/root      4932 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1500382.cif
-rw-r--r-- root/root      5036 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1601634.cif
-rw-r--r-- root/root      7893 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1615854.cif
-rw-r--r-- root/root      6312 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1622133.cif
-rw-r--r-- root/root      7601 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1704003.cif
-rw-r--r-- root/root      5458 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1811457.cif
-rw-r--r-- root/root      5237 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1908491.cif
-rw-r--r-- root/root      5352 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PF_sd_1928405.cif
-rw-r--r-- root/root      3509 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/PH7CN3O3F.json.gz
-rw-r--r-- root/root      1516 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR
-rw-r--r-- root/root      1056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.Al12O18
-rw-r--r-- root/root       525 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.CdS_HSE
-rw-r--r-- root/root       543 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.Fe3O4
-rw-r--r-- root/root      4374 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.Li2O
-rw-r--r-- root/root       948 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.LiFePO4
-rw-r--r-- root/root      1172 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.O2
-rw-r--r-- root/root       174 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.lobster.nonspin_DOS
-rw-r--r-- root/root       174 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.lobster.spin_DOS
-rw-r--r-- root/root      6388 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.symbols_natoms_multilines
-rw-r--r-- root/root      4044 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POSCAR.tricky_symmetry
-rw-r--r-- root/root    484306 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTCAR
-rw-r--r-- root/root    328045 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTCAR.Fe3O4
-rw-r--r-- root/root    233633 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTCAR.LiFePO4.gz
-rw-r--r-- root/root        76 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTCAR.spec
-rw-r--r-- root/root    154046 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTCAR.split.charged.gz
-rw-r--r-- root/root    233637 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTCAR2.LiFePO4.gz
-rw-r--r-- root/root       335 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/POTENTIALS
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/
-rw-r--r-- root/root     70918 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.Fe.gz
-rw-r--r-- root/root     70670 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.Fe_pv.gz
-rw-r--r-- root/root     47396 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.Li_sv.gz
-rw-r--r-- root/root     69253 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.Mn_pv.gz
-rw-r--r-- root/root     59839 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.Na_pv.gz
-rw-r--r-- root/root     50611 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.O.gz
-rw-r--r-- root/root     59141 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.P.gz
-rw-r--r-- root/root     59260 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE/POTCAR.Si.gz
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_52/
-rw-r--r-- root/root     86661 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_52/POTCAR.Fe_pv.gz
-rw-r--r-- root/root     79434 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_52/POTCAR.O.gz
-rw-r--r-- root/root     73582 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_52/POTCAR.P.gz
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/
-rw-r--r-- root/root     86495 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/POTCAR.Fe.gz
-rw-r--r-- root/root     86661 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/POTCAR.Fe_pv.gz
-rw-r--r-- root/root     69414 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/POTCAR.Li_sv_GW.gz
-rw-r--r-- root/root     79434 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/POTCAR.O.gz
-rw-r--r-- root/root     61975 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/POTCAR.O_GW.gz
-rw-r--r-- root/root     73582 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_GGA_PAW_PBE_54/POTCAR.P.gz
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_LDA_PAW/
-rw-r--r-- root/root     70804 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_LDA_PAW/POTCAR.Fe.gz
-rw-r--r-- root/root     56461 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/POT_LDA_PAW/POTCAR.P.gz
-rw-r--r-- root/root   1405343 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PROCAR
-rw-r--r-- root/root    728661 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PROCAR.new_format_5.4.4
-rw-r--r-- root/root   1296883 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PROCAR.phase
-rw-r--r-- root/root     44712 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/PROCAR.simple
-rw-r--r-- root/root      1950 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Senegalite_implicit_hydrogen.cif
-rw-r--r-- root/root       125 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Si.cssr
-rw-r--r-- root/root     12071 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Si.pwscf.out
-rw-r--r-- root/root    189567 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Si_phonon_bandstructure.json
-rw-r--r-- root/root      3322 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Sn_def_stress.json
-rw-r--r-- root/root    111943 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/TiO2_entries.json
-rw-r--r-- root/root      5656 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/TiO2_super.json
-rw-r--r-- root/root    231007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Traj_Combine_Test_XDATCAR_1
-rw-r--r-- root/root    111001 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Traj_Combine_Test_XDATCAR_2
-rw-r--r-- root/root    462007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Traj_Combine_Test_XDATCAR_Full
-rw-r--r-- root/root    231007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Traj_XDATCAR
-rw-r--r-- root/root     77868 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/UNK.H2.ncl
-rw-r--r-- root/root    248932 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/UNK.N2.std
-rw-r--r-- root/root     46188 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/UNK.ncl
-rw-r--r-- root/root     23108 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/UNK.std
-rw-r--r-- root/root      1825 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/V2O3.cif
-rw-r--r-- root/root     80462 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/VBr2_971787_bandstructure.json
-rw-r--r-- root/root      4480 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.H2.ncl
-rw-r--r-- root/root      2304 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.H2_low_symm
-rw-r--r-- root/root      1296 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.H2_low_symm.gamma
-rw-r--r-- root/root     24768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.N2
-rw-r--r-- root/root     24768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.N2.45210
-rw-r--r-- root/root     24768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.N2.malformed
-rw-r--r-- root/root     49536 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVECAR.N2.spin
-rw-r--r-- root/root    387200 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVEDER
-rw-r--r-- root/root   2408576 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVEDER.Si
-rw-r--r-- root/root  18966547 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/WAVEDERF.Si
-rw-r--r-- root/root     15516 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/XDATCAR.MD
-rw-r--r-- root/root       652 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/XDATCAR_4
-rw-r--r-- root/root       756 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/XDATCAR_5
-rw-r--r-- root/root      1860 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/XDATCAR_6
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/Zr_Vasprun/
-rw-r--r-- root/root       178 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/Zr_Vasprun/test_Vasprun.py
-rw-r--r-- root/root  12897847 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/Zr_Vasprun/vasprun.xml
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/
-rw-r--r-- root/root    135868 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/14-Si.LDA.fhi
-rw-r--r-- root/root       811 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/14si.4.hgh
-rw-r--r-- root/root    305169 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/14si.pspnc
-rw-r--r-- root/root     57451 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/H-wdr.oncvpsp
-rw-r--r-- root/root    570592 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/O.GGA_PBE-JTH-paw.xml
-rw-r--r-- root/root       569 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/Pb-d-3_r.psp8
-rw-r--r-- root/root      7072 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/Si2_GSR.nc
-rw-r--r-- root/root     10148 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/badyaml.log
-rw-r--r-- root/root       903 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/gan.cif
-rw-r--r-- root/root       590 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/ge.oncvpsp
-rw-r--r-- root/root    109088 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/mgb2_nscf.abo
-rw-r--r-- root/root     47719 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/mgb2_nscf.log
-rw-r--r-- root/root     81064 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/mgb2_scf.abo
-rw-r--r-- root/root     69562 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/mgb2_scf.log
-rw-r--r-- root/root      1579 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/si.cif
-rw-r--r-- root/root     49268 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/abinit/sic_relax.abo
-rw-r--r-- root/root       199 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/acetylene.xyz
-rw-r--r-- root/root       128 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/assimilated.json
-rw-r--r-- root/root      5480 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/bad_occu.cif
-rw-r--r-- root/root     36054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/bad_vasprun.xml
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/bader/
-rw-r--r-- root/root   6113824 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/bader/AECCAR0.gz
-rw-r--r-- root/root   5551882 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/bader/AECCAR2.gz
-rw-r--r-- root/root  11622815 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/bader/CHGCAR.gz
-rw-r--r-- root/root   6279574 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/bader/_CHGCAR_sum.gz
-rw-r--r-- root/root     46521 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/bader/elec.cube.gz
-rw-r--r-- root/root      2245 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/bcc_1927.cif
-rw-r--r-- root/root       592 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/benzene.xyz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/
-rw-r--r-- root/root       708 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/BoltzTraP.def
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.condtens
-rw-r--r-- root/root     83565 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.energyso
-rw-r--r-- root/root    448140 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.engre
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.halltens
-rw-r--r-- root/root      4716 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.intrans
-rw-r--r-- root/root     13325 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.outputtrans
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.sigxx
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.sigxxx
-rw-r--r-- root/root       602 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.struct
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.trace
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap.transdos
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap_BZ.cube
-rw-r--r-- root/root    521136 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap_band.dat
-rw-r--r-- root/root     15919 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap_band.gpl
-rw-r--r-- root/root    402696 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap_deriv.dat
-rw-r--r-- root/root   1192296 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/bands/boltztrap_mass.dat
-rw-r--r-- root/root     46711 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dft_bs_sym_line.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/
-rw-r--r-- root/root      1580 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/BoltzTraP.def
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.condtens
-rw-r--r-- root/root     53469 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.energyso
-rw-r--r-- root/root    298764 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.engre
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.halltens
-rw-r--r-- root/root       748 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.intrans
-rw-r--r-- root/root     23095 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.outputtrans
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dx2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dx2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dxy
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dxy.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dxz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dxz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dyz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dyz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dz2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_dz2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_px
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_px.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_py
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_py.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_pz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_pz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_s
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_0_s.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dx2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dx2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dxy
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dxy.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dxz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dxz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dyz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dyz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dz2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_dz2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_px
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_px.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_py
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_py.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_pz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_pz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_s
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.proj_1_s.transdos
-rw-r--r-- root/root   1551117 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.sigxx
-rw-r--r-- root/root   4329237 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.sigxxx
-rw-r--r-- root/root       602 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.struct
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.trace
-rw-r--r-- root/root    470847 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap.transdos
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/boltztrap_BZ.cube
-rw-r--r-- root/root    272636 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/fort.152
-rw-r--r-- root/root    298764 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_dw/fort.45
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/
-rw-r--r-- root/root      1580 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/BoltzTraP.def
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.condtens
-rw-r--r-- root/root     53469 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.energyso
-rw-r--r-- root/root    298764 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.engre
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.halltens
-rw-r--r-- root/root       748 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.intrans
-rw-r--r-- root/root     23095 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.outputtrans
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dx2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dx2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dxy
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dxy.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dxz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dxz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dyz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dyz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dz2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_dz2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_px
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_px.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_py
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_py.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_pz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_pz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_s
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_0_s.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dx2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dx2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dxy
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dxy.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dxz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dxz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dyz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dyz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dz2
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_dz2.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_px
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_px.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_py
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_py.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_pz
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_pz.transdos
-rw-r--r-- root/root     53467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_s
-rw-r--r-- root/root    316397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.proj_1_s.transdos
-rw-r--r-- root/root   1551117 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.sigxx
-rw-r--r-- root/root   4329237 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.sigxxx
-rw-r--r-- root/root       602 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.struct
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.trace
-rw-r--r-- root/root    470847 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap.transdos
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/boltztrap_BZ.cube
-rw-r--r-- root/root    270296 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/fort.152
-rw-r--r-- root/root    298764 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/dos_up/fort.45
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/
-rw-r--r-- root/root       708 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/BoltzTraP.def
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.condtens
-rw-r--r-- root/root     11889 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.energyso
-rw-r--r-- root/root     93372 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.engre
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.halltens
-rw-r--r-- root/root       489 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.intrans
-rw-r--r-- root/root     10518 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.outputtrans
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.sigxx
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.sigxxx
-rw-r--r-- root/root       602 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.struct
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.trace
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap.transdos
-rw-r--r-- root/root  14280394 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/fermi/boltztrap_BZ.cube
-rw-r--r-- root/root       607 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/structure_mp-12103.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/
-rw-r--r-- root/root       831 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/BoltzTraP.def
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.banddat
-rw-r--r-- root/root   4318891 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.condtens
-rw-r--r-- root/root     45370 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.condtens_fixdoping
-rw-r--r-- root/root    257426 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.energy
-rw-r--r-- root/root    673388 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.engre
-rw-r--r-- root/root   4318615 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.halltens
-rw-r--r-- root/root     45098 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.halltens_fixdoping
-rw-r--r-- root/root       736 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.intrans
-rw-r--r-- root/root      4441 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.outputtrans
-rw-r--r-- root/root    242580 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.sigxx
-rw-r--r-- root/root    690420 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.sigxxx
-rw-r--r-- root/root       286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.struct
-rw-r--r-- root/root   1372132 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.trace
-rw-r--r-- root/root     68506 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap.transdos
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap_BZ.cube
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/boltztrap_band.gpl
-rw-r--r-- root/root     15033 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/fort.25
-rw-r--r-- root/root     45370 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/fort.26
-rw-r--r-- root/root     45098 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap/transp/fort.27
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/
-rw-r--r-- root/root    649512 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/N2_bandstructure.json
-rw-r--r-- root/root     25688 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/PbTe_bandstructure.json
-rw-r--r-- root/root    125395 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/bztInterp.json.gz
-rw-r--r-- root/root   4144438 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/bztTranspProps.json.gz
-rw-r--r-- root/root    911382 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/vasprun.xml
-rw-r--r-- root/root   1804744 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/boltztrap2/vasprun_spin.xml
-rw-r--r-- root/root    535596 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/bs_ZnS_old.json
-rw-r--r-- root/root      1811 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/btet_1915.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/images/
-rw-r--r-- root/root     28122 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/images/detailed_voronoi_container_coordination_numbers_1.png
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/
-rw-r--r-- root/root      1285 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_A--2_KNO2_icsd_36202.json
-rw-r--r-- root/root      2727 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_A--2_SO2_icsd_24645.json
-rw-r--r-- root/root       768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_C--8_CsCl_icsd_622367.json
-rw-r--r-- root/root     12104 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_I--12_Mg3Cr2Al18_icsd_606797.json
-rw-r--r-- root/root      2814 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_L--2_CO2_icsd_16428.json
-rw-r--r-- root/root      1574 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_L--2_Cu2O_icsd_52043.json
-rw-r--r-- root/root      2926 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_L--2_HgCl2_icsd_23277.json
-rw-r--r-- root/root       985 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_L--2_XeF2_icsd_260950.json
-rw-r--r-- root/root      4644 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_O--6_LaFeO3_icsd_93611.json
-rw-r--r-- root/root       840 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_O--6_NaCl_icsd_61662.json
-rw-r--r-- root/root      9646 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_O--6_Sr3Fe2O7_icsd_2648.json
-rw-r--r-- root/root      5546 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_PB--7_PaCl5_icsd_15391.json
-rw-r--r-- root/root      2052 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--1_CO_icsd_26962.json
-rw-r--r-- root/root      2260 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--1_ClF_icsd_406442.json
-rw-r--r-- root/root     14808 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--4_BaCrSi4O10_icsd_83463.json
-rw-r--r-- root/root     14709 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--4_BaCuSi4O10_icsd_71865.json
-rw-r--r-- root/root     14132 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--4_BaFeSi4O10_icsd_6256.json
-rw-r--r-- root/root      5720 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--4_Pd2P2O7_icsd_415239.json
-rw-r--r-- root/root      5814 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--4_PdSO4_icsd_79559.json
-rw-r--r-- root/root      2558 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--4_XeF4_icsd_26626.json
-rw-r--r-- root/root      5496 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--5_BrF5_icsd_31690.json
-rw-r--r-- root/root      3501 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_S--5_V2O5_icsd_41030.json
-rw-r--r-- root/root     19679 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_SA--8_ThMo2O8_icsd_37236.json
-rw-r--r-- root/root      4772 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_SA--8_ThTi2O6_icsd_27017.json
-rw-r--r-- root/root      3493 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_SBT--8_PuBr3_icsd_31588.json
-rw-r--r-- root/root      4723 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_SS--4_SeF4_icsd_85451.json
-rw-r--r-- root/root      4586 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_SS--4_XeO2F2_icsd_10203.json
-rw-r--r-- root/root      9215 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_ST--7_K2TaF7_icsd_46005.json
-rw-r--r-- root/root     37730 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_CCl4_icsd_246796.json
-rw-r--r-- root/root      9255 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_CrPO4_icsd_60836.json
-rw-r--r-- root/root      4566 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_FePO4_icsd_4266.json
-rw-r--r-- root/root      9117 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_LiNdP4O12_icsd_14.json
-rw-r--r-- root/root      2494 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_SiO2_icsd_174.json
-rw-r--r-- root/root      3158 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_SiO2_icsd_34927.json
-rw-r--r-- root/root      3250 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--4_ZrSiO4_icsd_69643.json
-rw-r--r-- root/root      3113 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--5_PF5_icsd_62554.json
-rw-r--r-- root/root      8999 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--5_cod_YMn0.63In0.37O3_4105420.json
-rw-r--r-- root/root       972 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_T--6_MoS2_icsd_38401.json
-rw-r--r-- root/root      7778 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TL--3_BF3_icsd_20904.json
-rw-r--r-- root/root      4876 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TL--3_CaCO3_icsd_32100.json
-rw-r--r-- root/root      2559 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TL--3_CaCO3_icsd_40107.json
-rw-r--r-- root/root      7465 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TS--3_ClF3_icsd_203121.json
-rw-r--r-- root/root      7535 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TT_1--9_RbTh3F13_icsd_9915.json
-rw-r--r-- root/root      2977 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TY--3_K2SO3_icsd_60762.json
-rw-r--r-- root/root      3791 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/json_test_files/test_TY--3_NH3_icsd_29321.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/structure_environments_files/
-rw-r--r-- root/root    124900 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/structure_environments_files/se_mp-5020.json
-rw-r--r-- root/root    186870 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/structure_environments_files/se_mp-7000.json
-rw-r--r-- root/root  10669676 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chemenv/structure_environments_files/se_mp-743972.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chgden/
-rw-r--r-- root/root   9067598 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chgden/CHGCAR.CoO2
-rw-r--r-- root/root   2627546 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chgden/CHGCAR.FePO4
-rw-r--r-- root/root      1206 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chgden/LiCoO2.cif
-rw-r--r-- root/root      1935 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/chgden/LiFePO4.cif
-rw-r--r-- root/root      1457 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cif_finite_precision_frac_coord_error.cif
-rw-r--r-- root/root      4917 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cif_implicit_hydrogens_cod_1011130.cif
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/
-rw-r--r-- root/root       276 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/CHARGE.lobster.MnO
-rw-r--r-- root/root       153 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/CHARGE.lobster.MnO2.gz
-rw-r--r-- root/root   3025034 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COBICAR.lobster
-rw-r--r-- root/root     39381 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COHPCAR.lobster
-rw-r--r-- root/root     54787 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COHPCAR.lobster.BiSe
-rw-r--r-- root/root     20840 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COHPCAR.lobster.KF
-rw-r--r-- root/root    566866 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COHPCAR.lobster.Na2UO4
-rw-r--r-- root/root    141237 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COHPCAR.lobster.notot.orbitalwise
-rw-r--r-- root/root    149290 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COHPCAR.lobster.orbitalwise
-rw-r--r-- root/root     39381 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COOPCAR.lobster
-rw-r--r-- root/root     54787 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COOPCAR.lobster.BiSe
-rw-r--r-- root/root     20840 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COOPCAR.lobster.KF
-rw-r--r-- root/root    566866 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COOPCAR.lobster.Na2UO4
-rw-r--r-- root/root    344034 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COPL
-rw-r--r-- root/root    156559 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/COPL.BiSe
-rw-r--r-- root/root      3164 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/CTRL
-rw-r--r-- root/root     12027 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/CTRL.BiSe
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o4_2p.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o4_2s.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o5_2p.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o5_2s.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o6_2p.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o6_2s.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o7_2p.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o7_2s.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o8_2p.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o8_2s.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o9_2p.lobster
-rw-r--r-- root/root    195346 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_o9_2s.lobster
-rw-r--r-- root/root    195347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_si1_3p.lobster
-rw-r--r-- root/root    195347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_si1_3s.lobster
-rw-r--r-- root/root    195347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_si2_3p.lobster
-rw-r--r-- root/root    195347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_si2_3s.lobster
-rw-r--r-- root/root    195347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_si3_3p.lobster
-rw-r--r-- root/root    195347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/FATBAND_si3_3s.lobster
-rw-r--r-- root/root      4211 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/KPOINTS
-rw-r--r-- root/root   8662383 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_Spin/vasprun.xml
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o4_2p.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o4_2s.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o5_2p.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o5_2s.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o6_2p.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o6_2s.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o7_2p.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o7_2s.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o8_2p.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o8_2s.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o9_2p.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_o9_2s.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_si1_3p.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_si1_3s.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_si2_3p.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_si2_3s.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_si3_3p.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/FATBAND_si3_3s.lobster
-rw-r--r-- root/root      4211 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/KPOINTS
-rw-r--r-- root/root    826842 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/lobster_band_structure.json
-rw-r--r-- root/root   1648270 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/lobster_band_structure_spin.json
-rw-r--r-- root/root   4350771 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p/vasprun.xml
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o4_2p_x.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o4_2p_y.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o4_2p_z.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o4_2s.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o5_2p_x.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o5_2p_y.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o5_2p_z.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o5_2s.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o6_2p_x.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o6_2p_y.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o6_2p_z.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o6_2s.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o7_2p_x.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o7_2p_y.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o7_2p_z.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o7_2s.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o8_2p_x.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o8_2p_y.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o8_2p_z.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o8_2s.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o9_2p_x.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o9_2p_y.lobster
-rw-r--r-- root/root    100056 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o9_2p_z.lobster
-rw-r--r-- root/root    100054 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_o9_2s.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si1_3p_x.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si1_3p_y.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si1_3p_z.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si1_3s.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si2_3p_x.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si2_3p_y.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si2_3p_z.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si2_3s.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si3_3p_x.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si3_3p_y.lobster
-rw-r--r-- root/root    100057 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si3_3p_z.lobster
-rw-r--r-- root/root    100055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/FATBAND_si3_3s.lobster
-rw-r--r-- root/root      4211 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/KPOINTS
-rw-r--r-- root/root    212022 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/Fatband_SiO2/Test_p_x/vasprun.xml
-rw-r--r-- root/root      2956 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/GROSSPOP.lobster
-rw-r--r-- root/root       657 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/IBZKPT_2_2_2_Li
-rw-r--r-- root/root      1107 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/IBZKPT_3_3_3_Li
-rw-r--r-- root/root      6254 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOBILIST.lobster
-rw-r--r-- root/root     12508 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOBILIST.lobster.spinpolarized
-rw-r--r-- root/root       262 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOBILIST.lobster.withoutorbitals
-rw-r--r-- root/root       470 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOHPLIST.lobster
-rw-r--r-- root/root       901 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOHPLIST.lobster.BiSe
-rw-r--r-- root/root       524 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOHPLIST.lobster.KF_nospin
-rw-r--r-- root/root       901 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOHPLIST.lobster.back
-rw-r--r-- root/root       169 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOHPLIST.lobster.gz
-rw-r--r-- root/root       470 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOOPLIST.lobster
-rw-r--r-- root/root       901 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOOPLIST.lobster.BiSe
-rw-r--r-- root/root       524 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/ICOOPLIST.lobster.KF
-rw-r--r-- root/root    972692 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz
-rw-r--r-- root/root       268 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/MadelungEnergies.lobster.perovskite
-rw-r--r-- root/root      1266 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR
-rw-r--r-- root/root      1033 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.BiSe
-rw-r--r-- root/root       876 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.COBI
-rw-r--r-- root/root       180 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.GaAs
-rw-r--r-- root/root       143 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.Li
-rw-r--r-- root/root      1695 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.Na2UO4
-rw-r--r-- root/root      1293 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.SiO2
-rw-r--r-- root/root       423 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.orbitalwise
-rw-r--r-- root/root       876 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR.perovskite
-rw-r--r-- root/root        69 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POSCAR_O.gz
-rw-r--r-- root/root    486101 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/POTCAR.GaAs
-rw-r--r-- root/root       529 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/SitePotentials.lobster.perovskite
-rw-r--r-- root/root    901114 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/bandOverlaps.lobster.1
-rw-r--r-- root/root     31370 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/bandOverlaps.lobster.2
-rw-r--r-- root/root    316191 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/bandOverlaps.lobster.new.1
-rw-r--r-- root/root    158105 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/bandOverlaps.lobster.new.2
-rw-r--r-- root/root     16998 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/cobi.json
-rw-r--r-- root/root     35917 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/cohp.json
-rw-r--r-- root/root     13110 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/cohp.str
-rw-r--r-- root/root    651817 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/complete_cohp_forb.json
-rw-r--r-- root/root    133522 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/complete_cohp_lmto.json
-rw-r--r-- root/root     41910 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/complete_cohp_lobster.json
-rw-r--r-- root/root    133509 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/complete_cohp_orbitalwise.json
-rw-r--r-- root/root     68077 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/complete_coop_lobster.json
-rw-r--r-- root/root     13072 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/coop.json
-rw-r--r-- root/root      6089 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/coop.str
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/
-rw-r--r-- root/root       189 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/CHARGE.lobster.mp-2284.gz
-rw-r--r-- root/root       160 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/CHARGE.lobster.mp-241.gz
-rw-r--r-- root/root       157 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/CHARGE.lobster.mp-2741.gz
-rw-r--r-- root/root       176 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/CHARGE.lobster.mp-353.gz
-rw-r--r-- root/root       156 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/CHARGE.lobster.mp-706.gz
-rw-r--r-- root/root   2832932 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/COHPCAR.lobster.mp-190.gz
-rw-r--r-- root/root   4653907 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/COHPCAR.lobster.mp-353.gz
-rw-r--r-- root/root       344 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/GROSSPOP.lobster.mp-2284.gz
-rw-r--r-- root/root       223 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/GROSSPOP.lobster.mp-2741.gz
-rw-r--r-- root/root       284 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/GROSSPOP.lobster.mp-706.gz
-rw-r--r-- root/root      4171 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/ICOHPLIST.lobster.mp-7000.gz
-rw-r--r-- root/root     14102 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/ICOHPLIST.lobster.mp_190
-rw-r--r-- root/root      1649 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/ICOHPLIST.lobster.mp_190_2.gz
-rw-r--r-- root/root     12642 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/ICOHPLIST.lobster.mp_353
-rw-r--r-- root/root       112 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/POSCAR.mp-241.gz
-rw-r--r-- root/root       183 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/POSCAR.mp-7000.gz
-rw-r--r-- root/root       334 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/POSCAR.mp_190
-rw-r--r-- root/root       449 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/environments/POSCAR.mp_353
-rw-r--r-- root/root       214 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterin.1
-rw-r--r-- root/root       286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterin.2
-rw-r--r-- root/root       149 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterin.3
-rw-r--r-- root/root       163 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterin.4.gz
-rw-r--r-- root/root      1353 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.GaAs
-rw-r--r-- root/root      2030 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.fatband_grosspop_densityofenergy
-rw-r--r-- root/root      1717 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.normal
-rw-r--r-- root/root       938 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.normal2.gz
-rw-r--r-- root/root      2011 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.onethread
-rw-r--r-- root/root      1950 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.saveprojection
-rw-r--r-- root/root      2339 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.skip_cobi_madelung
-rw-r--r-- root/root      1903 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.skipping_all
-rw-r--r-- root/root      1834 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout.twospins
-rw-r--r-- root/root      2130 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout_cobi_madelung
-rw-r--r-- root/root       829 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cohp/lobsterout_from_projection
-rw-r--r-- root/root     41945 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/complete_cohp_lobster.json
-rw-r--r-- root/root   2388457 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/complete_dos.json
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/correction_calculator/
-rw-r--r-- root/root    172180 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/correction_calculator/calc_compounds_norm.json.gz
-rw-r--r-- root/root    172152 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/correction_calculator/calc_missing_compounds.json.gz
-rw-r--r-- root/root      4173 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/correction_calculator/exp_compounds_norm.json.gz
-rw-r--r-- root/root      3422 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/correction_calculator/exp_no_error_compounds.json.gz
-rw-r--r-- root/root       281 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/costdb_1.csv
-rw-r--r-- root/root       411 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/costdb_2.csv
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cp2k/
-rw-r--r-- root/root     17924 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cp2k/cp2k.inp
-rw-r--r-- root/root     58395 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cp2k/cp2k.out
-rw-r--r-- root/root        87 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cp2k/include.inc
-rw-r--r-- root/root      5623 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cp2k/pdos_ALPHA
-rw-r--r-- root/root      5623 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/cp2k/pdos_BETA
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/critic2/
-rw-r--r-- root/root       789 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/critic2/MoS2.cif
-rw-r--r-- root/root     20088 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/critic2/MoS2_critic2_stdout.txt
-rw-r--r-- root/root     20980 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/critic2/MoS2_critic2_stdout_new_format.txt
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/defect/
-rw-r--r-- root/root      7343 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/defect/CONTCAR_bulk
-rw-r--r-- root/root     20599 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/defect/OUTCAR_bulk.gz
-rw-r--r-- root/root    196166 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/defect/OUTCAR_vac_Ga_-3.gz
-rw-r--r-- root/root    180897 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/dos_spin_polarization_mp-865805.json
-rw-r--r-- root/root     11933 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/example21.gout
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fe_monomer/
-rw-r--r-- root/root     85984 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fe_monomer/OUTCAR
-rw-r--r-- root/root    242733 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fe_monomer/vasprun.xml
-rw-r--r-- root/root     23381 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff.inp
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_dist_test/
-rw-r--r-- root/root      2900 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_dist_test/HEADER
-rw-r--r-- root/root       158 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_dist_test/PARAMETERS
-rw-r--r-- root/root     31308 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_dist_test/feff.inp
-rw-r--r-- root/root     57334 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_eels_powder.inp
-rw-r--r-- root/root     57340 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_eels_x.inp
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/
-rw-r--r-- root/root       207 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/PARAMETERS
-rw-r--r-- root/root       645 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/feff.inp
-rw-r--r-- root/root       256 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/ldos.inp
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/ldos00.dat
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/ldos01.dat
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/ldos02.dat
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/ldos03.dat
-rw-r--r-- root/root      1396 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/feff_reci_dos/pot.inp
-rw-r--r-- root/root       382 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fit_symm_s1.vasp
-rw-r--r-- root/root       382 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fit_symm_s2.vasp
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fragmenter_files/
-rw-r--r-- root/root       563 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fragmenter_files/EC.xyz
-rw-r--r-- root/root       455 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fragmenter_files/LiEC.xyz
-rw-r--r-- root/root       419 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fragmenter_files/PC.xyz
-rw-r--r-- root/root       162 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fragmenter_files/PC_frag1.xyz
-rw-r--r-- root/root       461 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/fragmenter_files/TFSI.xyz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/functional_groups/
-rw-r--r-- root/root      1554 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/functional_groups/func_group_test.mol
-rw-r--r-- root/root       910 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/functional_groups/func_group_test_no_h.mol
-rw-r--r-- root/root      4318 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/garnet.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/
-rw-r--r-- root/root      5916 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Be_gb_fin.cif
-rw-r--r-- root/root      5916 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Be_gb_init.cif
-rw-r--r-- root/root       737 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Be_mp-87_conventional_standard.cif
-rw-r--r-- root/root       736 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Bi_mp-23152_primitive.cif
-rw-r--r-- root/root      1012 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Br_mp-23154_conventional_standard.cif
-rw-r--r-- root/root       828 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Cu_mp-30_conventional_standard.cif
-rw-r--r-- root/root       690 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Cu_mp-30_primitive.cif
-rw-r--r-- root/root      1765 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Fe_gb_fin.cif
-rw-r--r-- root/root      1774 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Fe_gb_init.cif
-rw-r--r-- root/root      1781 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Mo_gb_init.cif
-rw-r--r-- root/root       736 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Pa_mp-62_conventional_standard.cif
-rw-r--r-- root/root      5917 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grain_boundary/Zn_gb_init.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/
-rw-r--r-- root/root       419 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/PC.xyz
-rw-r--r-- root/root       162 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/PC_frag1.xyz
-rw-r--r-- root/root       461 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/TFSI.xyz
-rw-r--r-- root/root       494 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/butadiene.xyz
-rw-r--r-- root/root       788 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/cyclohexene.xyz
-rw-r--r-- root/root       297 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/graphs/ethylene.xyz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grid_data_files/
-rw-r--r-- root/root   8650403 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/grid_data_files/vasp_inputs_for_grid_check.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/eq/
-rw-r--r-- root/root       495 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/eq/POSCAR_InP
-rw-r--r-- root/root       512 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/eq/POSCAR_Si
-rw-r--r-- root/root    307899 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/gruneisen_band_Si.yaml
-rw-r--r-- root/root    319505 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/gruneisen_eq_plus_minus_InP.yaml
-rw-r--r-- root/root   1242753 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/gruneisen_mesh_InP.yaml
-rw-r--r-- root/root   1242081 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/gruneisen_mesh_InP_without_struct.yaml
-rw-r--r-- root/root   1242752 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/gruneisen_mesh_Si.yaml
-rw-r--r-- root/root      1199 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/gruneisen/gruneisen_mesh_only_one_q_InP.yaml
-rw-r--r-- root/root      1627 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/hex_1170.cif
-rw-r--r-- root/root    132176 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ieee_conversion_data.json
-rw-r--r-- root/root      2055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/input_exciting1.xml
-rw-r--r-- root/root      1049 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/input_exciting2.xml
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ion_placer_files/
-rw-r--r-- root/root     49244 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ion_placer_files/EC-12.qout
-rw-r--r-- root/root     63007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ion_placer_files/PC01.qout
-rw-r--r-- root/root      4856 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ir_spectra_mp-991652_DDB.json
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/
-rw-r--r-- root/root      1667 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/cocktail.xyz
-rw-r--r-- root/root    109843 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/crambin.data
-rw-r--r-- root/root    298623 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/data.peptide
-rw-r--r-- root/root       684 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/data.quartz
-rw-r--r-- root/root      2974 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.rdx.gz
-rw-r--r-- root/root       894 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.rdx_wc.0
-rw-r--r-- root/root       894 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.rdx_wc.100
-rw-r--r-- root/root       889 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.rdx_wc.25
-rw-r--r-- root/root       895 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.rdx_wc.50
-rw-r--r-- root/root       893 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.rdx_wc.75
-rw-r--r-- root/root     15848 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/dump.tatb
-rw-r--r-- root/root      3469 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/ec.data
-rw-r--r-- root/root    840079 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/ec_fec.xyz
-rw-r--r-- root/root      3849 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/ethane.data
-rw-r--r-- root/root      6309 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/fec.data
-rw-r--r-- root/root      1357 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/ff_ethane.yaml
-rw-r--r-- root/root       935 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/in.peptide
-rw-r--r-- root/root      1635 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/kappa.txt
-rw-r--r-- root/root       404 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/li.data
-rw-r--r-- root/root        20 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/li_2.xyz
-rw-r--r-- root/root       621 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/li_ec.xyz
-rw-r--r-- root/root       621 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/li_ec_2.xyz
-rw-r--r-- root/root       231 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/li_minimal.data
-rw-r--r-- root/root      2918 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/log.13Oct16.ehex.g++.8.gz
-rw-r--r-- root/root      3698 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/log.5Oct16.comb.Si.elastic.g++.1.gz
-rw-r--r-- root/root      2401 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/log.5Oct16.peptide.g++.1.gz
-rw-r--r-- root/root       195 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/peo_bulk.xyz
-rw-r--r-- root/root       216 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/peo_head.xyz
-rw-r--r-- root/root       215 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/peo_tail.xyz
-rw-r--r-- root/root     69268 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/tatb.data
-rw-r--r-- root/root     38624 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/topologies_ice.json.gz
-rw-r--r-- root/root     15869 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lammps/virus.data
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ldos00.dat
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ldos01.dat
-rw-r--r-- root/root      7286 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/ldos02.dat
-rw-r--r-- root/root  15424516 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/lifepo4.xml
-rw-r--r-- root/root     39007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/log_fiesta
-rw-r--r-- root/root      3846 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic.disordered.example.CuMnO2.mcif
-rw-r--r-- root/root      4508 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic.example.NiO.mcif
-rw-r--r-- root/root      4190 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic.incommensurate.example.Cr.mcif
-rw-r--r-- root/root      3765 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic.ncl.example.GdB4.mcif
-rw-r--r-- root/root      1373 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_deformation.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/
-rw-r--r-- root/root     10027 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Ca3Co2O6.json
-rw-r--r-- root/root     16345 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/CoS2.json
-rw-r--r-- root/root     34445 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Cr2FeS4.json
-rw-r--r-- root/root      5425 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Cr2NiO4.json
-rw-r--r-- root/root      3435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Cr2WO6.json
-rw-r--r-- root/root      3566 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/CuO.json
-rw-r--r-- root/root      4000 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/LaMnO3.json
-rw-r--r-- root/root     75396 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/LiMnPO4.json
-rw-r--r-- root/root     15224 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Mn3Al.json
-rw-r--r-- root/root     15055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/MnNi2Sn.json
-rw-r--r-- root/root     11969 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/MnSi.json
-rw-r--r-- root/root      8640 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/NbFe2.json
-rw-r--r-- root/root     12542 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Ni(SbO3)2.json
-rw-r--r-- root/root     24715 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/Ta2CoO6.json
-rw-r--r-- root/root    230324 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/magnetic_orderings/mag_orderings_test_cases.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/
-rw-r--r-- root/root      1269 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/bestsqs_nacl.cif
-rw-r--r-- root/root      1171 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/bestsqs_nacl.out
-rw-r--r-- root/root       894 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/bestsqs_pzt.cif
-rw-r--r-- root/root       805 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/bestsqs_pzt.out
-rw-r--r-- root/root      1042 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/perfect_match_zzn_rs.json
-rw-r--r-- root/root     14588 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/pztstructs.json
-rw-r--r-- root/root     11949 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mcsqs/pztstructs2.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/modified_potcars_data/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/modified_potcars_data/POT_GGA_PAW_PBE/
-rw-r--r-- root/root    187290 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/modified_potcars_data/POT_GGA_PAW_PBE/POTCAR.Fe_pv
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/modified_potcars_header/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/modified_potcars_header/POT_GGA_PAW_PBE/
-rw-r--r-- root/root    187434 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/modified_potcars_header/POT_GGA_PAW_PBE/POTCAR.Fe_pv
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/
-rw-r--r-- root/root     82538 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/CH2O_CO2.log
-rw-r--r-- root/root        97 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/Carbon_Disulfide.xyz
-rw-r--r-- root/root     73121 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/CdBr2.qcout
-rw-r--r-- root/root       623 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/Ethane_e.pdb
-rw-r--r-- root/root     70123 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/H2O_gau.out
-rw-r--r-- root/root    260386 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/H2O_gau_vib.out
-rw-r--r-- root/root    312107 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/H2O_scan_G16.out
-rw-r--r-- root/root      2819 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/MethylPyrrolidine_drawn.gjf
-rw-r--r-- root/root       375 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/MgBF4_b_overalpped.qcinp
-rw-r--r-- root/root     13043 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/MgBF4_b_overalpped.qcout
-rw-r--r-- root/root    424828 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/acene-n_gaussian09_opt.out
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/
-rw-r--r-- root/root      1490 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/RhB18_adf.inp
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/analytical_freq/
-rw-r--r-- root/root    161055 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/analytical_freq/adf.out
-rw-r--r-- root/root     13183 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/analytical_freq/logfile
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/numerical_freq/
-rw-r--r-- root/root    135897 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/numerical_freq/adf.out
-rw-r--r-- root/root     17037 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/numerical_freq/logfile
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/sp/
-rw-r--r-- root/root    115604 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/sp/adf.out
-rw-r--r-- root/root      5539 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/adf/sp/logfile
-rw-r--r-- root/root     38641 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/aux_mpi_time_mol.qcout
-rw-r--r-- root/root      1018 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/b12h12.xyz
-rw-r--r-- root/root      1005 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/basis2_mixed.inp
-rw-r--r-- root/root     15612 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/bsse.qcout
-rw-r--r-- root/root      3606 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/c60.xyz
-rw-r--r-- root/root     20906 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/chelpg_charges.qcout
-rw-r--r-- root/root    319548 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/crazy_scf_values.qcout
-rw-r--r-- root/root     73861 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/crowd_gradient_number.qcout
-rw-r--r-- root/root    536675 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/crowd_nbo_charges.qcout
-rw-r--r-- root/root       251 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/dh.xyz
-rw-r--r-- root/root       382 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/ethane.gjf
-rw-r--r-- root/root       786 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/ethane.mol
-rw-r--r-- root/root     10617 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/exit_code_134.qcout
-rw-r--r-- root/root    455467 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/ferrocenium_1pos.qcout
-rw-r--r-- root/root     18579 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/freq_seg_too_small.qcout
-rw-r--r-- root/root      4780 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/g305_hb.txt
-rw-r--r-- root/root     14034 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/ghost_atoms.qcout
-rw-r--r-- root/root     60474 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/gmd_scf.qcout
-rw-r--r-- root/root     65709 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/h2o_aimd.qcout
-rw-r--r-- root/root      4852 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/hf.qcout
-rw-r--r-- root/root     16002 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/hf_opt_failed.qcout
-rw-r--r-- root/root     18548 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/hirshfeld_population.qcout
-rw-r--r-- root/root    123378 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/homo_lumo_nan_values.qcout
-rw-r--r-- root/root     24058 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/insufficient_memory.qcout
-rw-r--r-- root/root     45003 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/killed.qcout
-rw-r--r-- root/root       855 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/l-cysteine.inp
-rw-r--r-- root/root    338165 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/l-cysteine.out
-rw-r--r-- root/root     61774 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/methane.log
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/
-rw-r--r-- root/root       186 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si2O_cluster.xyz
-rw-r--r-- root/root       186 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si2O_cluster_2.xyz
-rw-r--r-- root/root       186 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si2O_cluster_permuted.xyz
-rw-r--r-- root/root       186 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si2O_cluster_perturbed.xyz
-rw-r--r-- root/root       186 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si2O_cluster_rotated.xyz
-rw-r--r-- root/root       489 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si_cluster.xyz
-rw-r--r-- root/root       496 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si_cluster_2.xyz
-rw-r--r-- root/root       489 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si_cluster_permuted.xyz
-rw-r--r-- root/root       492 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si_cluster_perturbed.xyz
-rw-r--r-- root/root       495 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/Si_cluster_rotated.xyz
-rw-r--r-- root/root       592 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/benzene1.xyz
-rw-r--r-- root/root       592 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/benzene2.xyz
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/c1.xyz
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/c2.xyz
-rw-r--r-- root/root      4905 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/cdi_23_1.xyz
-rw-r--r-- root/root      4905 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/cdi_23_2.xyz
-rw-r--r-- root/root       886 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/cyclohexane1.xyz
-rw-r--r-- root/root       886 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/cyclohexane2.xyz
-rw-r--r-- root/root       297 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/ethene1.xyz
-rw-r--r-- root/root       297 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/ethene2.xyz
-rw-r--r-- root/root       274 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/grouped_mol_list.txt
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/j1.xyz
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/j2.xyz
-rw-r--r-- root/root      1851 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/k1.sdf
-rw-r--r-- root/root      1860 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/k2.sdf
-rw-r--r-- root/root       197 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/mol_list.txt
-rw-r--r-- root/root        35 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/oxygen1.xyz
-rw-r--r-- root/root        39 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/oxygen2.xyz
-rw-r--r-- root/root      1769 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/t1.xyz
-rw-r--r-- root/root      1769 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/t2.xyz
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/t3.xyz
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/t4.xyz
-rw-r--r-- root/root      1768 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/t5.xyz
-rw-r--r-- root/root      1549 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/thiane1.sdf
-rw-r--r-- root/root      1549 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/thiane2.sdf
-rw-r--r-- root/root      1759 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/thiane_ethynyl1.sdf
-rw-r--r-- root/root      1733 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/thiane_ethynyl2.sdf
-rw-r--r-- root/root       739 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/toluene1.xyz
-rw-r--r-- root/root       739 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/molecule_matcher/toluene2.xyz
-rw-r--r-- root/root     23203 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/negative_eigen.qcout
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/
-rw-r--r-- root/root   1891191 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/1570.qout
-rw-r--r-- root/root    325841 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/1570_2.qout
-rw-r--r-- root/root   1915646 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/1746.qout
-rw-r--r-- root/root   1886620 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/2068.qout
-rw-r--r-- root/root   2328647 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/2620.qout
-rw-r--r-- root/root     82255 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/DinfH.qout
-rw-r--r-- root/root    103092 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/Frequency_no_equal.qout
-rw-r--r-- root/root   1007487 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/MECLi_solv_eps10.qcout
-rw-r--r-- root/root     16958 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/N2.qcout
-rw-r--r-- root/root    133162 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/Optimization_no_equal.qout
-rw-r--r-- root/root     25067 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/VCGenSCFMan.qcout
-rw-r--r-- root/root    246600 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/VCLi_solv_eps10.qcout
-rw-r--r-- root/root     34961 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/VC_solv_eps10.2.qcout
-rw-r--r-- root/root    248270 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/VC_solv_eps10.qcout
-rw-r--r-- root/root      6498 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/basis_not_supported.qout
-rw-r--r-- root/root     26612 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/gdm.qout
-rw-r--r-- root/root     20068 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/julian.qcout.gz
-rw-r--r-- root/root     16742 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/lebdevpts.qout
-rw-r--r-- root/root      4919 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/molecule_read_error.qout
-rw-r--r-- root/root       173 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/mpi_error.qout
-rw-r--r-- root/root    424727 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/nbo.qout
-rw-r--r-- root/root       857 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pcm.qin
-rw-r--r-- root/root       991 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pes_scan.qin
-rw-r--r-- root/root  11720217 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pes_scan_double_variable.qout
-rw-r--r-- root/root   4625191 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pes_scan_single_variable.qout
-rw-r--r-- root/root     50298 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pt_n2_gs_rimp2_pvqz_90.0.qcout
-rw-r--r-- root/root     77007 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pt_n2_n_wb_180.0.qcout
-rw-r--r-- root/root    346602 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/pt_n2_trip_wb_90.0.qcout
-rw-r--r-- root/root   1477926 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/roothaan_diis_gdm.qout
-rw-r--r-- root/root     20237 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/single_point.qout
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/test_structure_change/
-rw-r--r-- root/root       199 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/test_structure_change/frag_1.xyz
-rw-r--r-- root/root       199 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/test_structure_change/frag_2.xyz
-rw-r--r-- root/root    111104 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/new_qchem_files/ts.out
-rw-r--r-- root/root      3405 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/no_reading.qcout
-rw-r--r-- root/root    607326 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/not_enough_total_memory.qcout
-rw-r--r-- root/root     77479 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/opt_fail_no_message.qcout
-rw-r--r-- root/root     34328 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/ordinal_not_in_range.qcout.gz
-rw-r--r-- root/root       623 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/partial_hessian.qcinp
-rw-r--r-- root/root     14897 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/pcm_solvent_deprecated.qcout
-rw-r--r-- root/root      1366 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/pcm_solvent_qc42_format.qcinp
-rw-r--r-- root/root    113477 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/pt_dft_180.0.qcout
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qc_aimd/
-rw-r--r-- root/root    957794 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qc_aimd/NucVeloc.velocities
-rw-r--r-- root/root      5111 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qc_aimd/mg2dig_nvt_langevin.inp
-rw-r--r-- root/root     29783 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem43_batch_job.qcout
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/
-rw-r--r-- root/root     11228 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf-rimp2.qcout
-rw-r--r-- root/root     10186 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_b3lyp.qcout
-rw-r--r-- root/root     16934 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_ccsd(t).qcout
-rw-r--r-- root/root     10313 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_cosmo.qcout
-rw-r--r-- root/root      9349 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_hf.qcout
-rw-r--r-- root/root     11664 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_lxygjos.qcout
-rw-r--r-- root/root     11492 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_mosmp2.qcout
-rw-r--r-- root/root      9773 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_mp2.qcout
-rw-r--r-- root/root     10174 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_pcm.qcout
-rw-r--r-- root/root     21281 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_qcisd(t).qcout
-rw-r--r-- root/root     17129 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_riccsd(t).qcout
-rw-r--r-- root/root     10068 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_tpssh.qcout
-rw-r--r-- root/root    157541 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_wb97xd_gen_scfman.qcout
-rw-r--r-- root/root     10638 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_xyg3.qcout
-rw-r--r-- root/root     12389 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/qchem_energies/hf_xygjos.qcout
-rw-r--r-- root/root   2487597 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/quasirrho_gaufreq.log
-rw-r--r-- root/root    210587 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/quinoxaline_anion.qcout
-rw-r--r-- root/root      9064 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/scf_no_message_fail.qcout
-rw-r--r-- root/root      9065 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/scf_opt_no_message_fail.qcout
-rw-r--r-- root/root    123745 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/so2_scan.log
-rw-r--r-- root/root    522397 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/so2_scan_opt.log
-rw-r--r-- root/root     18266 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/so2_td.log
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/
-rw-r--r-- root/root       552 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/MgBH42.xyz
-rw-r--r-- root/root    194729 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/mol_1_3_bond.qcout
-rw-r--r-- root/root      1243 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/molecule_with_halogen_bonds_1.xyz
-rw-r--r-- root/root      1042 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/molecule_with_halogen_bonds_2.xyz
-rw-r--r-- root/root      1278 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/t1.xyz
-rw-r--r-- root/root      1278 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/t2.xyz
-rw-r--r-- root/root      1278 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/t3.xyz
-rw-r--r-- root/root       606 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/thiophene1.xyz
-rw-r--r-- root/root       627 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/structural_change/thiophene2.xyz
-rw-r--r-- root/root    145606 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/tfsi_nbo.qcout
-rw-r--r-- root/root     92384 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/thiophene_wfs_5_carboxyl.qcout
-rw-r--r-- root/root     35365 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/time_nan_values.qcout
-rw-r--r-- root/root    153176 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/molecules/unable_to_determine_lambda_in_geom_opt.qcout
-rw-r--r-- root/root      1863 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/monoc_1028.cif
-rw-r--r-- root/root      4901 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mp1048_defect_formation_energies.json
-rw-r--r-- root/root      1819 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mp1048_raw_defect_energies.json
-rw-r--r-- root/root      1347 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/mp1487_raw_defect_energies.json
-rw-r--r-- root/root     50099 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/multicomp_pbx.json
-rw-r--r-- root/root    996298 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/multiple_frame_xyz.xyz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/00/
-rw-r--r-- root/root   3957239 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/00/OUTCAR
-rw-r--r-- root/root      1038 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/00/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/01/
-rw-r--r-- root/root      3702 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/01/CONTCAR
-rw-r--r-- root/root   8686657 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/01/OUTCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/02/
-rw-r--r-- root/root      3702 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/02/CONTCAR
-rw-r--r-- root/root   8613205 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/02/OUTCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/03/
-rw-r--r-- root/root      3702 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/03/CONTCAR
-rw-r--r-- root/root   8686655 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/03/OUTCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/04/
-rw-r--r-- root/root   3953289 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/04/OUTCAR
-rw-r--r-- root/root      1872 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb1/neb/04/POSCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb2/
-rw-r--r-- root/root     57848 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/neb_analysis/neb2/neb_analysis2.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/__init__.py
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/__init__.py
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/
-rw-r--r-- root/root      8465 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/CONTCAR
-rw-r--r-- root/root       240 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/INCAR
-rw-r--r-- root/root        24 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/KPOINTS
-rw-r--r-- root/root   1936535 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/OUTCAR
-rw-r--r-- root/root      8465 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/POSCAR
-rw-r--r-- root/root    611443 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/hydromagnesite/POTCAR
-rw-r--r-- root/root    996265 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/basic/vasprun.xml.chemical_shift.scstep
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/
-rw-r--r-- root/root   1072544 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/core.diff.chemical.shifts.OUTCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/
-rw-r--r-- root/root      8465 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/CONTCAR
-rw-r--r-- root/root       240 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/INCAR
-rw-r--r-- root/root        24 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/KPOINTS
-rw-r--r-- root/root   1936535 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/OUTCAR
-rw-r--r-- root/root      8465 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/POSCAR
-rw-r--r-- root/root    611443 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/cs/core.diff/hydromagnesite/POTCAR
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/
-rw-r--r-- root/root      4956 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/CONTCAR
-rw-r--r-- root/root       197 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/INCAR
-rw-r--r-- root/root    274379 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/OUTCAR
-rw-r--r-- root/root      4946 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/POSCAR
-rw-r--r-- root/root    772006 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/POTCAR
-rw-r--r-- root/root    235485 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nmr/efg/AlPO4/vasprun.xml
-rw-r--r-- root/root      7158 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nosymm.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/
-rw-r--r-- root/root      4448 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/C1N1Cl1_1.nwout
-rw-r--r-- root/root    802979 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/CH3CH2O.nwout
-rw-r--r-- root/root    239127 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/CH4.nwout
-rw-r--r-- root/root    689937 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/H4C3O3_1.nwout
-rw-r--r-- root/root    806943 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/N2O4.nwout
-rw-r--r-- root/root   1938352 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/anthrachinon_wfs_15_carboxyl.nwout
-rw-r--r-- root/root   3489152 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/anthrachinon_wfs_16_ethyl.nwout
-rw-r--r-- root/root       849 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/ch4.nw
-rw-r--r-- root/root    117272 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/nwchem/phen_tddft.log
-rw-r--r-- root/root       932 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/orac_632475.cif
-rw-r--r-- root/root      2116 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/orcc_1003.cif
-rw-r--r-- root/root      1751 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/orci_1010.cif
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/path_finder/
-rw-r--r-- root/root  30523868 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/path_finder/LFP_CHGCAR.gz
-rw-r--r-- root/root      1558 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/path_finder/LFP_POSCAR_e
-rw-r--r-- root/root      1558 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/path_finder/LFP_POSCAR_s
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/
-rw-r--r-- root/root    860165 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/FORCE_CONSTANTS
-rw-r--r-- root/root    485041 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/NaCl_band.yaml
-rw-r--r-- root/root     12280 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/NaCl_partial_dos.dat
-rw-r--r-- root/root     11868 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/NaCl_phonopy.yaml
-rw-r--r-- root/root      8260 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/NaCl_total_dos.dat
-rw-r--r-- root/root       743 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/POSCAR-NaCl
-rw-r--r-- root/root      2222 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/phonopy/POSCAR-unitcell
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/
-rw-r--r-- root/root      3128 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/becops.npy
-rw-r--r-- root/root      4120 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/fcmops.npy
-rw-r--r-- root/root      1095 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/istops.npy
-rw-r--r-- root/root      1690 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/pb2tizro6.json
-rw-r--r-- root/root     11245 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/pointops.npy
-rw-r--r-- root/root       848 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/pztborn.npy
-rw-r--r-- root/root      7328 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/pztfcm.npy
-rw-r--r-- root/root      2240 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/pztist.npy
-rw-r--r-- root/root     74979 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/piezo_sensitivity/sharedops.npy
-rw-r--r-- root/root    255471 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/pourbaix_test_data.json
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/qchem/
-rw-r--r-- root/root      1736 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/qchem/pt_n2_wb97mv_0.0.in
-rw-r--r-- root/root       788 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/qchem/pt_test_mol.xyz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/relaxation/
-rw-r--r-- root/root   5480580 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/relaxation/CHGCAR
-rw-r--r-- root/root    106024 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/relaxation/OUTCAR
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/relaxation/WAVECAR
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/relaxation/WAVEDER
-rw-r--r-- root/root    187234 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/relaxation/vasprun.xml
-rw-r--r-- root/root      1627 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/rhomb_1170.cif
-rw-r--r-- root/root       841 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/rhomb_3478.cif
-rw-r--r-- root/root      1206 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/rhomb_3478_conv.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/scan_relaxation/
-rw-r--r-- root/root    131167 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/scan_relaxation/OUTCAR
-rw-r--r-- root/root    361527 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/scan_relaxation/vasprun.xml
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/shengbte/
-rw-r--r-- root/root       555 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/shengbte/CONTROL-CSLD_Si
-rw-r--r-- root/root      1158 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/sio2.pw.in
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/site_symmetries/
-rw-r--r-- root/root     11245 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/site_symmetries/pointops.npy
-rw-r--r-- root/root     74979 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/site_symmetries/sharedops.npy
-rw-r--r-- root/root      3933 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/site_type_symbol_test.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/space_group_structs/
-rw-r--r-- root/root      5997 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/space_group_structs/ICSD_170.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/
-rw-r--r-- root/root      9167 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/LiCoO2_k_exafs.json
-rw-r--r-- root/root      3270 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/LiCoO2_k_xanes.json
-rw-r--r-- root/root      3435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/ZnO_l2_xanes.json
-rw-r--r-- root/root      3440 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/ZnO_l3_xanes.json
-rw-r--r-- root/root      5766 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/site1_k_xanes.json
-rw-r--r-- root/root      5779 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/spectrum_test/site2_k_xanes.json
-rw-r--r-- root/root      2730 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/srycoo.cif
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/static_silicon/
-rw-r--r-- root/root        26 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/static_silicon/CHGCAR
-rw-r--r-- root/root      1314 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/static_silicon/OSZICAR
-rw-r--r-- root/root     61474 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/static_silicon/OUTCAR
-rw-r--r-- root/root    258732 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/static_silicon/vasprun.xml
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/struct_predictor/
-rw-r--r-- root/root       132 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/struct_predictor/test_lambda.json
-rw-r--r-- root/root      2433 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/structure_CO2.json
-rw-r--r-- root/root       612 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/structure_KF.json
-rw-r--r-- root/root       634 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/structure_MnO.json
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/
-rw-r--r-- root/root      1201 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/Au_slab_init.cif
-rw-r--r-- root/root       209 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/CONTCAR.relax1.gz
-rw-r--r-- root/root     96336 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/Cu_entries.txt
-rw-r--r-- root/root      1225 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/Cu_slab_fin.cif
-rw-r--r-- root/root      1225 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/Cu_slab_init.cif
-rw-r--r-- root/root  16588851 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/LOCPOT.gz
-rw-r--r-- root/root     46578 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/La_fcc_entries.txt
-rw-r--r-- root/root     60827 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/La_hcp_entries.txt
-rw-r--r-- root/root      8340 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/MgO_slab_entries.txt
-rw-r--r-- root/root     32180 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/OUTCAR.relax1.gz
-rw-r--r-- root/root      1995 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/ZnO-wz.cif
-rw-r--r-- root/root     12805 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/csentries_o_ads.json
-rw-r--r-- root/root      4798 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/csentries_slabs.json
-rw-r--r-- root/root      2104 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/icsd_LiCoO2.cif
-rw-r--r-- root/root      2518 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/icsd_TeI.cif
-rw-r--r-- root/root      2627 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/icsd_batio3.cif
-rw-r--r-- root/root       805 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/isolated_O_entry.txt
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/
-rw-r--r-- root/root      2333 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Fe_bcc_100_zigzag_rt2xrt2.cif
-rw-r--r-- root/root      1671 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_100_missing_row_1x1.cif
-rw-r--r-- root/root      2423 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_110_missing_row_1x2.cif
-rw-r--r-- root/root      1298 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_111_adatom_bridge_1x1.cif
-rw-r--r-- root/root      1297 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_111_adatom_ft_1x1.cif
-rw-r--r-- root/root      1298 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_111_adatom_h_1x1.cif
-rw-r--r-- root/root      1298 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_111_adatom_ht_1x1.cif
-rw-r--r-- root/root      1297 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_111_adatom_t_1x1.cif
-rw-r--r-- root/root      1672 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Ni_fcc_111_missing_row_1x2.cif
-rw-r--r-- root/root      2147 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Si_diamond_100_2x1.cif
-rw-r--r-- root/root      1957 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Si_diamond_110_1x1.cif
-rw-r--r-- root/root      2715 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/reconstructions/Si_diamond_111_1x2.cif
-rw-r--r-- root/root     11422 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/surface_tests/ucell_entries.txt
-rw-r--r-- root/root     44135 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/test_toec_data.json
-rw-r--r-- root/root     10099 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/transformations.json
-rw-r--r-- root/root      1351 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/tric_684654.json
-rw-r--r-- root/root     87599 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.BSE.xml.gz
-rw-r--r-- root/root    410605 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.GW0.xml
-rw-r--r-- root/root    353109 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.charged.xml
-rw-r--r-- root/root  43761335 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.lvel.Si2H.xml
-rw-r--r-- root/root     36522 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.split.charged.xml
-rw-r--r-- root/root  12685837 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml
-rw-r--r-- root/root    336275 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.Al
-rw-r--r-- root/root    337133 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.LiF
-rw-r--r-- root/root    361527 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.LiH_bad_efermi
-rw-r--r-- root/root    181061 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.bad_fermi.gz
-rw-r--r-- root/root     54385 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.chi.gz
-rw-r--r-- root/root   3008684 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dfpt
-rw-r--r-- root/root  61182108 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dfpt.ionic
-rw-r--r-- root/root   2966245 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dfpt.phonon
-rw-r--r-- root/root   1823092 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dfpt.unconverged
-rw-r--r-- root/root    254683 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dielectric
-rw-r--r-- root/root   1134135 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dielectric_5.4.4
-rw-r--r-- root/root   1467238 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dielectric_6.0.8
-rw-r--r-- root/root   1134182 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.dielectric_bad
-rw-r--r-- root/root    549307 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.forcehybridlikecalc
-rw-r--r-- root/root  12254123 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.hse06
-rw-r--r-- root/root     69923 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.indirect.gz
-rw-r--r-- root/root  14667988 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.int_Te_SOC.gz
-rw-r--r-- root/root    322805 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.lobster.nonspin
-rw-r--r-- root/root  11123896 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.lobster.spin
-rw-r--r-- root/root   5109910 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.magmom_ldau
-rw-r--r-- root/root  37215698 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.nonlm
-rw-r--r-- root/root    424788 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.opticaltransitions
-rw-r--r-- root/root  39258604 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.pbesol
-rw-r--r-- root/root  39258644 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.pbesol_vdw
-rw-r--r-- root/root   3420466 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.r2scan
-rw-r--r-- root/root   3421420 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.random
-rw-r--r-- root/root   3420465 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.rscan
-rw-r--r-- root/root  12685847 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.sc_overflow
-rw-r--r-- root/root   3421408 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.scan
-rw-r--r-- root/root   3724033 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.scan_rvv10
-rw-r--r-- root/root   3791262 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.unconverged
-rw-r--r-- root/root    927031 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.uniform
-rw-r--r-- root/root   3421368 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.unknown
-rw-r--r-- root/root   1180381 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.vdw
-rw-r--r-- root/root    331919 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.wrong_sp
-rw-r--r-- root/root    331920 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun.xml.xe
-rw-r--r-- root/root   1491160 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun_Si_bands.xml
-rw-r--r-- root/root    882253 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/vasprun_eig_separate_spins.xml.gz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/wrong_potcars/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/wrong_potcars/POT_GGA_PAW_PBE/
-rw-r--r-- root/root     70804 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/wrong_potcars/POT_GGA_PAW_PBE/POTCAR.Fe.gz
-rw-r--r-- root/root     56461 2021-12-14 15:00 ./usr/share/doc/pymatgen-test-files/examples/test_files/wrong_potcars/POT_GGA_PAW_PBE/POTCAR.P.gz
-rw-r--r-- root/root      8090 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xmu.dat
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/
-rw-r--r-- root/root       436 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r0.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r1.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r2.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r3.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r4.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r5.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r6.xyz
-rw-r--r-- root/root       436 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r7.xyz
-rw-r--r-- root/root       436 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c0_r8.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r0.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r1.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r10.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r11.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r12.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r13.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r14.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r15.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r16.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r17.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r2.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r3.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r4.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r5.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r6.xyz
-rw-r--r-- root/root       437 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r7.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r8.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/c1_r9.xyz
-rw-r--r-- root/root       104 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/expected_constrains.txt
-rw-r--r-- root/root       936 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/expected_output/expected_crest_best.xyz
drwxr-xr-x root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/
-rw-r--r-- root/root     27898 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/FW.json
-rw-r--r-- root/root       591 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/FW_submit.script
-rw-r--r-- root/root      1104 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/coord
-rw-r--r-- root/root       976 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/coord.original
-rw-r--r-- root/root      3092 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/cregen_0.tmp
-rw-r--r-- root/root      3093 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/cregen_1.tmp
-rw-r--r-- root/root       936 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_best.xyz
-rw-r--r-- root/root      1872 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_conformers.xyz
-rw-r--r-- root/root       435 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_in.xyz
-rw-r--r-- root/root     25803 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_out.out
-rw-r--r-- root/root     48295 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_0.xyz
-rw-r--r-- root/root    228967 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_1.xyz
-rw-r--r-- root/root    235301 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_2.xyz
-rw-r--r-- root/root     51526 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_3.xyz
-rw-r--r-- root/root     24118 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_4.xyz
-rw-r--r-- root/root     28492 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_5.xyz
-rw-r--r-- root/root     24118 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/crest_rotamers_6.xyz
-rw-r--r-- root/root         0 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/lr6_job-28275610.error
-rw-r--r-- root/root      2115 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/lr6_job-28275610.out
-rw-r--r-- root/root       637 2021-12-11 00:04 ./usr/share/doc/pymatgen-test-files/examples/test_files/xtb/sample_CREST_output/wbo
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/lintian/
drwxr-xr-x root/root         0 2021-12-14 15:00 ./usr/share/lintian/overrides/
-rw-r--r-- root/root        98 2021-12-14 15:00 ./usr/share/lintian/overrides/pymatgen-test-files

Timestamp: 14.12.2021 / 16:01:56 (UTC)