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} \approx \frac{1}{0.131333}-\frac{1}{0.492333} = 5.58 \; eV </math>

Revision as of 16:05, 8 August 2019