.coveragerc
.gitignore
.readthedocs.yaml
.zenodo.json
CITATION.cff
LICENSE
README.md
changes.md
pyproject.toml
requirements.txt
.github/workflows/build.yml
.github/workflows/publish-to-pypi.yml
docs/Makefile
docs/requirements.txt
docs/_build/doctrees/FAQs.doctree
docs/_build/doctrees/cli_tutorial.doctree
docs/_build/doctrees/environment.pickle
docs/_build/doctrees/index.doctree
docs/_build/doctrees/modules.doctree
docs/_build/doctrees/py_sc_fermi.doctree
docs/_build/doctrees/tutorial.doctree
docs/_build/doctrees/tutorials.doctree
docs/_build/doctrees/usage_notes.doctree
docs/_build/doctrees/nbsphinx/tutorial.ipynb
docs/_build/doctrees/nbsphinx/tutorial_11_0.png
docs/_build/doctrees/nbsphinx/tutorial_13_0.png
docs/_build/doctrees/nbsphinx/tutorial_16_0.png
docs/_build/doctrees/nbsphinx/tutorial_18_0.png
docs/_build/doctrees/nbsphinx/tutorial_20_0.png
docs/_build/doctrees/nbsphinx/tutorial_22_0.png
docs/source/FAQs.rst
docs/source/Makefile
docs/source/cli_tutorial.rst
docs/source/conf.py
docs/source/dos.csv
docs/source/index.rst
docs/source/installation.rst
docs/source/make.bat
docs/source/py_sc_fermi.rst
docs/source/requirements.txt
docs/source/tutorial.ipynb
docs/source/tutorials.rst
docs/source/usage_notes.rst
docs/source/_build/doctrees/environment.pickle
docs/source/_build/doctrees/index.doctree
docs/source/_build/doctrees/source/modules.doctree
docs/source/_build/doctrees/source/py_sc_fermi.doctree
docs/source/figures/degeneracy.png
docs/source/figures/outline.png
py_sc_fermi/__init__.py
py_sc_fermi/defect_charge_state.py
py_sc_fermi/defect_species.py
py_sc_fermi/defect_system.py
py_sc_fermi/dos.py
py_sc_fermi/inputs.py
py_sc_fermi/warnings.py
py_sc_fermi.egg-info/PKG-INFO
py_sc_fermi.egg-info/SOURCES.txt
py_sc_fermi.egg-info/dependency_links.txt
py_sc_fermi.egg-info/entry_points.txt
py_sc_fermi.egg-info/requires.txt
py_sc_fermi.egg-info/top_level.txt
py_sc_fermi/cli/__init__.py
py_sc_fermi/cli/sc_fermi_solve.py
tests/.DS_Store
tests/__init__.py
tests/test_defect_charge_state.py
tests/test_defect_species.py
tests/test_defect_system.py
tests/test_dos.py
tests/test_inputs.py
tests/test_warnings.py
tests/dummy_inputs/POSCAR
tests/dummy_inputs/bad_frozen_species.dat
tests/dummy_inputs/defect_system.yaml
tests/dummy_inputs/frozen_charge_states.dat
tests/dummy_inputs/frozen_species.dat
tests/dummy_inputs/input_fermi.dat
tests/dummy_inputs/no_dos.yaml
tests/dummy_inputs/no_volume.yaml
tests/dummy_inputs/py_sc_fermi_out.yaml
tests/dummy_inputs/report_string.txt
tests/dummy_inputs/totdos.dat
tests/dummy_inputs/unitcell.dat
tests/dummy_inputs/vasprun_nsp.xml