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"Generating and grading 34 optimised norm-conserving Vanderbilt ..."

Christian Tantardini et al. (2024)

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DOI: 10.1016/J.CPC.2023.109002

access: open

type: Journal Article

metadata version: 2024-06-08

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Christian Tantardini, Miroslav Ilias, Matteo Giantomassi, Alexander G. Kvashnin, Valeria Pershina, Xavier Gonze:
Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo. Comput. Phys. Commun. 295: 109002 (2024)

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