Fully ab initio finite-size corrections for charged-defect supercell calculations.

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Published in Phys Rev Lett on January 05, 2009

Authors

Christoph Freysoldt1, Jörg Neugebauer, Chris G Van de Walle

Author Affiliations

1: Max-Planck-Institut für Eisenforschung, Max-Planck-Strasse 1, 40227 Düsseldorf, Germany.

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