Calculate U for LSDA+U: Difference between revisions
Vaspmaster (talk | contribs) No edit summary |
Vaspmaster (talk | contribs) No edit summary |
||
Line 1: | Line 1: | ||
[[File:NiOLDAU3.png|500px]] | [[File:NiOLDAU3.png|500px]] | ||
<math> \chi^{-1} - \chi_0^{-1} </math> | <math> U = \chi^{-1}-\chi_0^{-1}=frac{1}{0.131333}-frac{1}{0.492333} = 5.58 eV </math> |