LDAUL

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

Description: LDAUL specifies the -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, LMAXMIX, DFT+U: formalism

Examples that use this tag

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