Understanding and correcting the spurious interactions in charged supercells
Author:
Publisher
American Physical Society (APS)
Subject
Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.84.075155/fulltext
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1. The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method
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3. Exact Korringa-Kohn-Rostoker Energy-Band Method with the Speed of Empirical-Pseudopotential Methods
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