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"qha: A Python package for quasiharmonic free energy calculation for ..."

Tian Qin et al. (2019)

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DOI: 10.1016/J.CPC.2018.11.003

access: closed

type: Journal Article

metadata version: 2023-09-30

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Tian Qin, Qi Zhang, Renata M. Wentzcovitch, Koichiro Umemoto:
qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems. Comput. Phys. Commun. 237: 199-207 (2019)

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