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Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics?

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Lange,  B.
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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

/persons/resource/persons125293

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

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Lange, B., Freysoldt, C., & Neugebauer, J. (2012). Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics?. Talk presented at 1.st Austrian/German Workshop on Computational Materials Design. Kramsach, Tyrol, Austria. 2012-01-23 - 2012-01-27.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-2BB5-9
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