AUTHORS.rst
CONTRIBUTING.rst
HISTORY.rst
LICENSE
MANIFEST.in
README.rst
setup.cfg
setup.py
asr/__init__.py
asr/__main__.py
asr/asr.py
asr/bader.py
asr/bandstructure.py
asr/berry.py
asr/borncharges.py
asr/bse.py
asr/convex_hull.py
asr/defectformation.py
asr/deformationpotentials.py
asr/dos.py
asr/emasses.py
asr/fere.py
asr/fermisurface.py
asr/formalpolarization.py
asr/gs.py
asr/gw.py
asr/hse.py
asr/infraredpolarizability.py
asr/magnetic_anisotropy.py
asr/pdos.py
asr/phonons.py
asr/phonopy.py
asr/piezoelectrictensor.py
asr/plasmafrequency.py
asr/polarizability.py
asr/projected_bandstructure.py
asr/push.py
asr/raman.py
asr/relax.py
asr/stiffness.py
asr/structureinfo.py
asr/workflow.py
asr.egg-info/PKG-INFO
asr.egg-info/SOURCES.txt
asr.egg-info/dependency_links.txt
asr.egg-info/entry_points.txt
asr.egg-info/not-zip-safe
asr.egg-info/requires.txt
asr.egg-info/top_level.txt
asr/calculators/__init__.py
asr/core/__init__.py
asr/core/cli.py
asr/core/material.py
asr/database/__init__.py
asr/database/app.py
asr/database/browser.py
asr/database/clonetree.py
asr/database/fromtree.py
asr/database/key_descriptions.py
asr/database/material_fingerprint.py
asr/database/merge.py
asr/database/totree.py
asr/database/templates/__init__.py
asr/database/templates/layout.html
asr/database/templates/projects.html
asr/database/templates/row.html
asr/database/templates/search.html
asr/setup/__init__.py
asr/setup/decorate.py
asr/setup/defects.py
asr/setup/displacements.py
asr/setup/magnetize.py
asr/setup/materials.py
asr/setup/params.py
asr/setup/scanparams.py
asr/setup/strains.py
asr/setup/substitution.dat
asr/setup/symmetrize.py
asr/setup/testsystems.json
asr/test/__init__.py
asr/test/conftest.py
asr/test/test_bandstructure.py
asr/test/test_borncharges.py
asr/test/test_cli.py
asr/test/test_convex_hull.py
asr/test/test_core.py
asr/test/test_core_material.py
asr/test/test_database_totree.py
asr/test/test_formalpolarization.py
asr/test/test_gs.py
asr/test/test_gw.py
asr/test/test_hse.py
asr/test/test_pdos.py
asr/test/test_phonons.py
asr/test/test_piezoelectrictensor.py
asr/test/test_polarizability.py
asr/test/test_projected_bandstructure.py
asr/test/test_relax.py
asr/test/test_setup_decorate.py
asr/test/test_setup_displacements.py
asr/test/test_setup_magnetize.py
asr/test/test_setup_materials.py
asr/test/test_setup_params.py
asr/test/test_setup_scanparams.py
asr/test/test_setup_strains.py
asr/test/test_setup_symmetrize.py
asr/test/mocks/__init__.py
asr/test/mocks/gpaw/__init__.py
asr/test/mocks/gpaw/berryphase.py
asr/test/mocks/gpaw/kpt_descriptor.py
asr/test/mocks/gpaw/mpi.py
asr/test/mocks/gpaw/occupations.py
asr/test/mocks/gpaw/spinorbit.py
asr/test/mocks/gpaw/symmetry.py
asr/test/mocks/gpaw/hybrids/__init__.py
asr/test/mocks/gpaw/hybrids/eigenvalues.py
asr/test/mocks/gpaw/response/__init__.py
asr/test/mocks/gpaw/response/df.py
asr/test/mocks/gpaw/response/g0w0.py
asr/test/mocks/gpaw/utilities/__init__.py
asr/test/mocks/gpaw/utilities/dos.py
asr/test/mocks/gpaw/utilities/ibz2bz.py
asr/test/mocks/gpaw/utilities/progressbar.py
asr/test/mocks/gpaw/xc/__init__.py
asr/test/mocks/gpaw/xc/exx.py
asr/test/mocks/gpaw/xc/tools.py
asr/utils/__init__.py
asr/utils/args.py
asr/utils/gpw2eigs.py
asr/utils/kpts.py
asr/utils/refinegs.py
asr/utils/something.py
asr/utils/symmetry.py
docs/Makefile
docs/conf.py
docs/index.rst
docs/_build/_static/file.png
docs/_build/_static/minus.png
docs/_build/_static/plus.png
docs/_templates/autosummary/mytemplate.rst
docs/build/_images/berry_phases.png
docs/build/_images/born_charge.png
docs/build/_static/file.png
docs/build/_static/minus.png
docs/build/_static/plus.png
docs/src/api.rst
docs/src/developing.rst
docs/src/install.rst
docs/src/explanations/berry_phases.png
docs/src/explanations/born_charge.png
docs/src/explanations/explanations.rst
docs/src/explanations/formalpolarization.rst
docs/src/generated/asr.bader.rst
docs/src/generated/asr.bandstructure.rst
docs/src/generated/asr.berry.rst
docs/src/generated/asr.borncharges.rst
docs/src/generated/asr.bse.rst
docs/src/generated/asr.convex_hull.rst
docs/src/generated/asr.core.cli.rst
docs/src/generated/asr.core.material.rst
docs/src/generated/asr.core.rst
docs/src/generated/asr.database.app.rst
docs/src/generated/asr.database.clonetree.rst
docs/src/generated/asr.database.fromtree.rst
docs/src/generated/asr.database.material_fingerprint.rst
docs/src/generated/asr.database.merge.rst
docs/src/generated/asr.database.totree.rst
docs/src/generated/asr.defectformation.rst
docs/src/generated/asr.deformationpotentials.rst
docs/src/generated/asr.dos.rst
docs/src/generated/asr.emasses.rst
docs/src/generated/asr.fere.rst
docs/src/generated/asr.fermisurface.rst
docs/src/generated/asr.formalpolarization.rst
docs/src/generated/asr.gs.rst
docs/src/generated/asr.gw.rst
docs/src/generated/asr.hse.rst
docs/src/generated/asr.infraredpolarizability.rst
docs/src/generated/asr.magnetic_anisotropy.rst
docs/src/generated/asr.pdos.rst
docs/src/generated/asr.phonons.rst
docs/src/generated/asr.phonopy.rst
docs/src/generated/asr.piezoelectrictensor.rst
docs/src/generated/asr.plasmafrequency.rst
docs/src/generated/asr.polarizability.rst
docs/src/generated/asr.projected_bandstructure.rst
docs/src/generated/asr.push.rst
docs/src/generated/asr.raman.rst
docs/src/generated/asr.relax.rst
docs/src/generated/asr.setup.decorate.rst
docs/src/generated/asr.setup.defects.rst
docs/src/generated/asr.setup.magnetize.rst
docs/src/generated/asr.setup.materials.rst
docs/src/generated/asr.setup.params.rst
docs/src/generated/asr.setup.scanparams.rst
docs/src/generated/asr.setup.strains.rst
docs/src/generated/asr.setup.symmetrize.rst
docs/src/generated/asr.stiffness.rst
docs/src/generated/asr.structureinfo.rst
docs/src/generated/asr.workflow.rst
docs/src/howtoguides/howtoguides.rst
docs/src/tutorials/asr-run-command.rst
docs/src/tutorials/getting-started.rst
docs/src/tutorials/setup-params.rst
docs/src/tutorials/tutorials.rst