CrySPY_utility

See CrySPY document

Change log

2022 May 16: update exract_struc.py

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
README.md		README.md
cryspy_analyzer_BO.ipynb		cryspy_analyzer_BO.ipynb
cryspy_analyzer_EA.ipynb		cryspy_analyzer_EA.ipynb
cryspy_analyzer_LAQA.ipynb		cryspy_analyzer_LAQA.ipynb
cryspy_analyzer_RS.ipynb		cryspy_analyzer_RS.ipynb
extract_struc.py		extract_struc.py
get_primitive_cell.py		get_primitive_cell.py
kpt_check.py		kpt_check.py
pkl_data.ipynb		pkl_data.ipynb
pos2pkl.py		pos2pkl.py
qe2vasp_cif.py		qe2vasp_cif.py
spg_check.py		spg_check.py
struc2cif.py		struc2cif.py