LDAUL

The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.

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 articles

LDAU, LDAUTYPE, LDAUU, LDAUJ, LDAUPRINT, LMAXMIX, DFT+U: formalism

Examples that use this tag