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pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging
Moustafa, Sabry G., Purohit, Apoorva, Schultz, Andrew J., Kofke, David A.Volume:
258
Journal:
Computer Physics Communications
DOI:
10.1016/j.cpc.2020.107554
Date:
January, 2021
File:
PDF, 702 KB
2021