LDAUL: Difference between revisions
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Revision as of 14:56, 22 February 2019
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