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LDAUL

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Revision as of 14:29, 8 April 2022 by Karsai (talk | contribs)

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LDAUL = [integer array]
Default: LDAUL = NTYP*2

Description: LDAUL specifies the $\ell$ -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 articles

LDAU, LDAUTYPE, LDAUU, LDAUJ, LDAUPRINT

Examples that use this tag

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