Calculate U for LSDA+U: Difference between revisions
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[[File:NiOLDAU3.png|500px]] | [[File:NiOLDAU3.png|500px]] | ||
<math> U = \chi^{-1}-\chi_0^{-1}=frac{1}{0.131333}-frac{1}{0.492333} = 5.58 eV </math> | <math> U = \chi^{-1}-\chi_0^{-1}=\frac{1}{0.131333}-\frac{1}{0.492333} = 5.58 eV </math> |