The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

M. J. Van Setten, Matteo Giantomassi, Eric Bousquet, Matthieu J. Verstraete, Don R. Hamann, Xavier Gonze, Gian-Marco Rignanese. The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table. Computer Physics Communications, 226:39-54, 2018. [doi]

Authors

M. J. Van Setten

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Matteo Giantomassi

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Eric Bousquet

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Matthieu J. Verstraete

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Don R. Hamann

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Xavier Gonze

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Gian-Marco Rignanese

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