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

著者: Michiel J. van Setten, Matteo Giantomassi, Eric Bousquet, Matthieu J. Verstraete, Don R. Hamann, Xavier Gonze, Gian-Marco Rignanese - Computer Physics Communications 2018 被引用: 2,094