Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials by Freysoldt, Christoph, Neugebauer, Jörg, Tan, Anne Marie Z., Hennig, Richard G.

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Advanced Calculations for Defects in Materials : Electronic Structure Methods / by Alkauskas, Audrius, editor 521943, Deák, Peter, editor 634142, Neugebauer, Jörg, editor 634143, Pasquarello, Alfredo, editor 634144, Walle, Chris G. Van de, editor 634145