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- W2034196356 abstract "The methodology for the calculation of charged defects using the CRYSTAL program is discussed. Two example calculations are used to illustrate the methodology: He+ ions in a vacuum and two intrinsic charged defects, Cu vacancies and Ga substitution for Cu, in the chalcopyrite CuGaS2." @default.
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- W2034196356 date "2010-07-01" @default.
- W2034196356 modified "2023-10-14" @default.
- W2034196356 title "Calculating charged defects using CRYSTAL" @default.
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