├── .github ├── ISSUE_TEMPLATE.md ├── ISSUE_TEMPLATE │ ├── bugs-only.md │ ├── checklist.md │ ├── checklist2.md │ ├── conversational.md │ ├── screenshots.md │ └── system.md ├── PULL_REQUEST_TEMPLATE.md ├── PULL_REQUEST_TEMPLATE │ ├── bugs-only.md │ ├── checklist.md │ ├── checklist2.md │ ├── conversational.md │ ├── screenshots.md │ └── system.md └── workflows │ ├── pdm.yml │ ├── pylint.yml │ ├── python-package-conda.yml │ ├── python-package.yml │ └── python-publish.yml ├── .gitignore ├── CITATIONS.bib ├── LICENSE.txt ├── README.md ├── bld.bat ├── docs ├── Makefile ├── make.bat └── source │ ├── _static │ └── input_format.png │ ├── api │ ├── fitting.rst │ ├── grid_interpolation.rst │ ├── index.rst │ ├── input_maker.rst │ ├── multi_configurations.rst │ ├── read_input.rst │ ├── settings.rst │ ├── single_configuration.rst │ ├── statmech.rst │ ├── thermodynamics.rst │ ├── tools.rst │ ├── unit_conversion.rst │ └── v2p.rst │ ├── conf.py │ ├── develop │ ├── contributing.rst │ └── index.rst │ ├── index.rst │ └── tutorials │ ├── convert.rst │ ├── doc.rst │ ├── index.rst │ ├── installing.rst │ ├── plot.rst │ └── run.rst ├── examples ├── ice VII │ ├── input_01 │ ├── input_02 │ ├── input_03 │ ├── input_04 │ ├── input_05 │ ├── input_06 │ ├── input_07 │ ├── input_08 │ ├── input_09 │ ├── input_10 │ ├── input_11 │ ├── input_12 │ ├── input_13 │ ├── input_14 │ ├── input_15 │ ├── input_16 │ ├── input_17 │ ├── input_18 │ ├── input_19 │ ├── input_20 │ ├── input_21 │ ├── input_22 │ ├── input_23 │ ├── input_24 │ ├── input_25 │ ├── input_26 │ ├── input_27 │ ├── input_28 │ ├── input_29 │ ├── input_30 │ ├── input_31 │ ├── input_32 │ ├── input_33 │ ├── input_34 │ ├── input_35 │ ├── input_36 │ ├── input_37 │ ├── input_38 │ ├── input_39 │ ├── input_40 │ ├── input_41 │ ├── input_42 │ ├── input_43 │ ├── input_44 │ ├── input_45 │ ├── input_46 │ ├── input_47 │ ├── input_48 │ ├── input_49 │ ├── input_50 │ ├── input_51 │ ├── input_52 │ └── settings.yaml └── silicon │ ├── input │ ├── make_input │ ├── README.md │ ├── V+1.freq │ ├── V+2.freq │ ├── V+3.freq │ ├── V+4.freq │ ├── V+5.freq │ ├── V-1.freq │ ├── V-2.freq │ ├── V-3.freq │ ├── V-4.freq │ ├── V-5.freq │ ├── V0.freq │ ├── filelist.yaml │ ├── q_points │ └── static │ └── settings.yaml ├── meta.yaml ├── pyproject.toml ├── ruff.toml ├── setup.py ├── src └── qha │ ├── __init__.py │ ├── basic_io │ ├── __init__.py │ ├── input_maker.py │ ├── out.py │ └── read_input.py │ ├── calculator.py │ ├── cli │ ├── __init__.py │ ├── converter.py │ ├── handler.py │ ├── parser.py │ ├── plotter.py │ └── runner.py │ ├── fitting.py │ ├── grid_interpolation.py │ ├── multi_configurations │ ├── __init__.py │ ├── different_phonon_dos.py │ └── same_phonon_dos.py │ ├── plotting.py │ ├── settings.py │ ├── single_configuration.py │ ├── statmech.py │ ├── thermodynamics.py │ ├── tools.py │ ├── type_aliases.py │ ├── unit_conversion.py │ └── v2p.py └── tests ├── __init__.py ├── test_different_phonon_dos.py ├── test_overall_run.py ├── test_read_input.py ├── 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