All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals - researchr publication

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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. Computer Physics Communications, 190:33-50, 2015. [doi]

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