├── .github └── workflows │ ├── docs.yml │ ├── release.yml │ └── tests.yml ├── .gitignore ├── .pre-commit-config.yaml ├── CHANGELOG.rst ├── LICENSE ├── README.rst ├── docs ├── admin │ └── version-releases.md └── src │ ├── changelog.rst │ ├── conf.py │ ├── customising-plots.rst │ ├── figures │ ├── absorption_anisotropic.png │ ├── absorption_bandgap.png │ ├── absorption_basic.png │ ├── absorption_multi.png │ ├── band_basic.png │ ├── band_projected_advanced.png │ ├── band_projected_rgb.png │ ├── band_projected_rgb_colours.png │ ├── band_projected_stacked.png │ ├── band_rectangle.png │ ├── band_with_dos.png │ ├── dos_all_labels.png │ ├── dos_basic.png │ ├── dos_customised.png │ ├── dos_dark_bg.png │ ├── dos_specific.png │ ├── dos_square.png │ ├── dos_subplot.png │ ├── phonon_band_basic.png │ └── sumo_plots.pdf │ ├── gallery.rst │ ├── index.rst │ ├── modules.rst │ ├── sumo-bandplot.rst │ ├── sumo-bandstats.rst │ ├── sumo-dosplot.rst │ ├── sumo-kgen.rst │ ├── sumo-optplot.rst │ ├── sumo-phonon-bandplot.rst │ ├── sumo.cli.rst │ ├── sumo.electronic_structure.rst │ ├── sumo.phonon.rst │ ├── sumo.plotting.rst │ ├── sumo.rst │ ├── sumo.symmetry.rst │ └── tutorials.rst ├── examples └── orbital_colours.conf ├── paper.bib ├── paper.md ├── setup.py ├── sumo ├── __init__.py ├── cli │ ├── __init__.py │ ├── bandplot.py │ ├── bandstats.py │ ├── dosplot.py │ ├── kgen.py │ ├── optplot.py │ └── phonon_bandplot.py ├── electronic_structure │ ├── __init__.py │ ├── bandstructure.py │ ├── dos.py │ ├── effective_mass.py │ └── optics.py ├── io │ ├── __init__.py │ ├── castep.py │ ├── questaal.py │ └── vasp.py ├── phonon │ ├── __init__.py │ └── phonopy.py ├── plotting │ ├── __init__.py │ ├── bs_plotter.py │ ├── dos_plotter.py │ ├── optics_plotter.py │ ├── orbital_colours.conf │ ├── phonon_bs_plotter.py │ ├── sumo_base.mplstyle │ ├── sumo_bs.mplstyle │ ├── sumo_dos.mplstyle │ ├── sumo_optics.mplstyle │ └── sumo_phonon.mplstyle └── symmetry │ ├── __init__.py │ ├── brad_crack_kpath.py │ ├── bradcrack.json │ ├── custom_kpath.py │ ├── kpath.py │ ├── kpoints.py │ ├── latimer_munro_kpath.py │ ├── pymatgen_kpath.py │ └── seekpath_kpath.py └── tests ├── README ├── __init__.py ├── data ├── Cs2SnBr6 │ └── vasprun.xml.gz ├── Cs2SnI6 │ ├── bandstructure │ │ ├── split-01 │ │ │ ├── KPOINTS.gz │ │ │ └── vasprun.xml.gz │ │ └── split-02 │ │ │ ├── KPOINTS.gz │ │ │ └── vasprun.xml.gz │ ├── dos │ │ └── vasprun.xml.gz │ └── optics │ │ └── vasprun.xml.gz ├── Fe │ ├── Fe.bands │ ├── Fe.bands_header.json │ └── Fe.cell ├── Ge │ ├── POSCAR │ ├── ge_alpha.json │ ├── ge_diel.json │ └── vasprun.xml.gz ├── HgS │ └── POSCAR ├── Ni │ └── ni-band.cell ├── NiO │ ├── NiO.bands │ ├── NiO.cell │ ├── NiO.pdos_bin │ ├── NiO_abc.cell │ ├── NiO_abc_cart.cell │ ├── NiO_abc_frac.cell │ ├── NiO_abc_units.cell │ ├── dos-pmg.json.gz │ └── pdos-pmg.json.gz ├── OsO2 │ ├── KPOINTS.gz │ └── vasprun.xml.gz ├── Pt │ └── Pt.cell ├── RbSnI6 │ └── phonopy │ │ ├── FORCE_SETS │ │ ├── POSCAR │ │ ├── SPOSCAR │ │ └── band.yaml ├── Si │ ├── Si2-alt.cell │ ├── Si2.bands │ ├── Si2.bands_header.json │ ├── Si2.cell │ └── Si8.json ├── SnO2 │ ├── dos.rutile.gz │ ├── eps_BSE.out │ ├── opt.rutile │ ├── site.rutile │ └── tdos.rutile ├── ZnO │ ├── POSCAR │ ├── bnds.band_calc │ ├── bnds.band_calc_spin │ ├── init.zno_cart │ ├── init.zno_cart_bohr │ ├── init.zno_nosym │ ├── init.zno_nosym_scaled │ ├── init.zno_sym │ ├── init.zno_sym_bohr │ └── syml.band_calc └── ZnS │ ├── zns-sp.cell │ ├── zns.cell │ ├── zns.phonon │ └── zns_phonon.json ├── tests_electronic_structure ├── __init__.py ├── test_dos.py └── test_optics.py ├── tests_io ├── __init__.py ├── test_castep.py └── test_questaal.py ├── tests_phonon ├── __init__.py └── test_phonopy.py ├── tests_plotting ├── __init__.py ├── test_band_plotter.py └── test_dos_plotter.py └── tests_symmetry ├── __init__.py ├── test_bradcrack_kpath.py ├── test_custom_kpath.py ├── test_pymatgen_kpath.py └── test_seekpath_kpath.py /.github/workflows/docs.yml: 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