├── LICENSE ├── README.md ├── example1 ├── HT_defects.ipy ├── POSCAR_cc └── POSCAR_pc ├── example2 ├── HT_defects.ipy └── POSCAR_pc ├── instructions ├── README.md ├── dot_pylada_moab ├── dot_pylada_slurm └── ipython_config.py ├── pylada_defects.py ├── pyspglib ├── __init__.py ├── __init__.pyc ├── _spglib.so ├── spglib.py ├── spglib.py-ORG ├── spglib.pyc └── spglib.py~ └── tutorial └── Functions_tutorial.md /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pylada/pylada-defects/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/pylada/pylada-defects/HEAD/README.md -------------------------------------------------------------------------------- /example1/HT_defects.ipy: 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