Calculate U for LSDA+U: Difference between revisions

Revision as of 16:10, 8 August 2019

$U=\chi ^{-1}-\chi _{0}^{-1}\approx {\frac {1}{0.131333}}-{\frac {1}{0.492333}}=5.58\;eV$

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+=== {{FILE|POSCAR}} ===
+=== {{FILE|KPOINTS}} ===
 <math> U = \chi^{-1}-\chi_0^{-1} \approx \frac{1}{0.131333}-\frac{1}{0.492333} = 5.58 \; eV </math>