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"All-electron formalism for total energy strain derivatives and stress ..."

Franz Knuth et al. (2015)

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DOI: 10.1016/J.CPC.2015.01.003

access: closed

type: Journal Article

metadata version: 2020-02-21

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Franz Knuth, Christian Carbogno, Viktor Atalla, Volker Blum, Matthias Scheffler:
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Comput. Phys. Commun. 190: 33-50 (2015)

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