GitHub - physta/kcm

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 47 Commits
Si-example		Si-example
INPUT		INPUT
KCM.py		KCM.py
KCM_py3.py		KCM_py3.py
README		README

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Phono3py general script

	$ phono3py --dim="2 2 2" --fc3 --fc2 --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" -c POSCAR --mesh="20 20 20" --br --nu --ts="300" --isotope -o t300

KCM general script

	$ python KCM.py --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" POSCAR kappa-m202020.hdf5_t300