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"pyHMA: A VASP post-processor for precise measurement of crystalline ..."

Sabry G. Moustafa et al. (2021)

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DOI: 10.1016/J.CPC.2020.107554

access: closed

type: Journal Article

metadata version: 2021-07-29

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Sabry G. Moustafa, Apoorva Purohit, Andrew J. Schultz, David A. Kofke:
pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging. Comput. Phys. Commun. 258: 107554 (2021)

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