CaptainDasheng / ShengBTE Public

An interface between CASTEP and ShengBTE

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Name		Name	Last commit message	Last commit date
Latest commit History 24 Commits
FORCE_CONSTANTS_2ND		FORCE_CONSTANTS_2ND
InAs.castep		InAs.castep
Quartz.castep		Quartz.castep
README.md		README.md
castep2boltz.py		castep2boltz.py
castep2shengbte-v0.1.py		castep2shengbte-v0.1.py
castep2shengbte.py		castep2shengbte.py
castep_create_dir.sh		castep_create_dir.sh
castep_run.sh		castep_run.sh
reorder2ndIFC.py		reorder2ndIFC.py
reorder3rdIFC.py		reorder3rdIFC.py
test		test
thirdorder_castep.py		thirdorder_castep.py