Evaluating Hellmann–Feynman forces within non-local...

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Computer Physics Communications 2019 / 12

Evaluating Hellmann–Feynman forces within non-local pseudopotentials

Novák, Matyáš, Vackář, Jiří, Cimrman, Robert
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Journal:
Computer Physics Communications
DOI:
10.1016/j.cpc.2019.107034
Date:
December, 2019
File:
PDF, 637 KB
2019
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