├── .github ├── ISSUE_TEMPLATE.md ├── dependabot.yml └── workflows │ ├── docs.yml │ ├── pre-commit.yml │ ├── release.yml │ └── tests.yml ├── .gitignore ├── .pre-commit-config.yaml ├── CITATION.cff ├── LICENSE ├── README.md ├── amset ├── __init__.py ├── constants.py ├── core │ ├── __init__.py │ ├── data.py │ ├── run.py │ └── transport.py ├── defaults.yaml ├── deformation │ ├── __init__.py │ ├── common.py │ ├── generation.py │ ├── io.py │ └── potentials.py ├── electronic_structure │ ├── __init__.py │ ├── common.py │ ├── dos.py │ ├── fd.py │ ├── kpoints.py │ ├── symmetry.py │ └── tetrahedron.py ├── interpolation │ ├── __init__.py │ ├── bandstructure.py │ ├── boltztrap.py │ ├── deformation.py │ ├── momentum.py │ ├── periodic.py │ ├── projections.py │ ├── quad.json │ ├── quad.py │ └── wavefunction.py ├── io.py ├── log.py ├── plot │ ├── __init__.py │ ├── amset_base.mplstyle │ ├── base.py │ ├── convergence.py │ ├── cumulative.py │ ├── electronic_structure.py │ ├── lineshape.py │ ├── mobility.py │ ├── rates.py │ ├── revtex.mplstyle │ └── transport.py ├── scattering │ ├── __init__.py │ ├── basic.py │ ├── calculate.py │ ├── common.py │ ├── elastic.py │ └── inelastic.py ├── tools │ ├── __init__.py │ ├── cli.py │ ├── common.py │ ├── deformation.py │ ├── effmass.py │ ├── phonon_frequency.py │ ├── plot.py │ ├── run.py │ └── wavefunction.py ├── util.py └── wavefunction │ ├── __init__.py │ ├── common.py │ ├── io.py │ ├── pawpyseed.py │ └── vasp.py ├── docs ├── admin │ └── version-releases.md ├── mkdocs.yml ├── src │ ├── amset_logo.png │ ├── changelog.md │ ├── contributing.md │ ├── contributors.md │ ├── index.md │ ├── inputs.md │ ├── installation.md │ ├── license.md │ ├── properties.jpg │ ├── scattering.md │ ├── settings.md │ ├── stylesheets │ │ └── colors.css │ ├── transport-properties.md │ └── using.md └── theme │ └── overrides │ └── partials │ └── footer.html ├── examples ├── GaAs │ ├── GaAs.py │ ├── README.md │ ├── settings.yaml │ ├── vasprun.xml.gz │ └── wavefunction.h5 └── Si │ ├── README.md │ ├── Si.py │ ├── deformation.h5 │ ├── settings.yaml │ ├── vasprun.xml.gz │ └── wavefunction.h5 ├── requirements.txt ├── setup.cfg ├── setup.py └── tests ├── __init__.py ├── conftest.py ├── core ├── __init__.py └── test_run.py ├── electronic_structure ├── __init__.py ├── test_common.py ├── test_symmetry.py └── test_tetrahedron.py ├── interpolation ├── __init__.py └── test_interpolate.py ├── plot ├── __init__.py └── test_base.py ├── test_data ├── amset_settings.yaml ├── band_structures │ └── tricky_sp_band_structure_data.json.gz ├── deformation │ ├── 00 │ │ ├── OUTCAR.gz │ │ └── vasprun.xml.gz │ ├── 01 │ │ ├── OUTCAR.gz │ │ └── vasprun.xml.gz │ ├── 02 │ │ ├── OUTCAR.gz │ │ └── vasprun.xml.gz │ ├── 03 │ │ ├── OUTCAR.gz │ │ └── vasprun.xml.gz │ └── deformation.h5 └── structures │ ├── BaN2_15.json.gz │ ├── CaC2_2.json.gz │ ├── Fe_229.json.gz │ ├── K2Au3_71.json.gz │ ├── KCeF4_123.json.gz │ ├── KNO3_160.json.gz │ ├── LaI3_63.json.gz │ ├── 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