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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]

Authors

Fabien Tran

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Jan Kunes

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Pavel Novák

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Peter Blaha

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Laurence D. Marks

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Karlheinz Schwarz

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