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pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging

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. Computer Physics Communications, 258:107554, 2021. [doi]

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