LDAUL

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Revision as of 12:06, 2 March 2011 by Mmars (talk | contribs) (Created page with '{{TAGDEF|LDAUL|[integer array]|NTYP*2}} Description: {{TAG|LDAUL}} specifies the ''l''-quantum number for which the on-site interaction is added. ---- For {{TAG|LDAUL}}=-1 no on…')
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LDAUL = [integer array]
Default: LDAUL = NTYP*2 

Description: LDAUL specifies the l-quantum number for which the on-site interaction is added.

For LDAUL=-1 no on-site interaction is added.

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

Related Tags and Sections

LDAU, LDAUTYPE, LDAUU, LDAUJ, LDAUPRINT

Contents

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