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The object-oriented DFT program library S/PHI/nX

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Boeck,  Sixten
Algorithm Design and Modelling, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Freysoldt,  Christoph
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Dick,  Alexey
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Ismer,  Lars
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer,  Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Citation

Boeck, S., Freysoldt, C., Dick, A., Ismer, L., & Neugebauer, J. (2011). The object-oriented DFT program library S/PHI/nX. Computer Physics Communications, 182(3), 543-554. doi: 10.1016/j.cpc.2010.09.016.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-33B4-E
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