Force calculation for orbital-dependent potentials with FP-(L)APW + lo basis sets

Fabien Tran, Jan Kunes, Pavel Novák, Peter Blaha, Laurence D. Marks, Karlheinz Schwarz. Force calculation for orbital-dependent potentials with FP-(L)APW + lo basis sets. Computer Physics Communications, 179(11):784-790, 2008. [doi]

Abstract

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