Calculate U for LSDA+U: Difference between revisions

Revision as of 16:03, 8 August 2019

$U = \chi^{-1}-\chi_0^{-1}=\frac{1}{0.131333}-\frac{1}{0.492333} = 5.58 \; eV$

Revision as of 16:03, 8 August 2019 (view source) Vaspmaster (talk \| contribs) No edit summary ← Older edit		Revision as of 16:03, 8 August 2019 (view source) Vaspmaster (talk \| contribs) No edit summary Newer edit →
Line 1:		Line 1:
	[[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>