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LDAUU

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Revision as of 12:14, 2 March 2011 by Mmars (talk | contribs) (Created page with '{{TAGDEF|LDAUU|[real array]|NTYP*0.0}} Description: {{TAG|LDAUU}} specifies the strength of the effective on-site Coulomb interactions. ---- '''Mind''': one ''has'' to specify o…')

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LDAUU = [real array]
Default: LDAUU = NTYP*0.0

Description: LDAUU specifies the strength of the effective on-site Coulomb interactions.

Mind: one has to specify one number for each atomic species.

Related Tags and Sections

LDAU, LDAUTYPE, LDAUL, LDAUJ, LDAUPRINT

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