Evaluating Hellmann-Feynman forces within non-local pseudopotentials

Matyás Novák, Jirí Vackár, Robert Cimrman. Evaluating Hellmann-Feynman forces within non-local pseudopotentials. Computer Physics Communications, 250:107034, 2020. [doi]

Authors

Matyás Novák

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Jirí Vackár

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Robert Cimrman

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