LDAUL: Difference between revisions
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{{TAG|LDAUJ}}, | {{TAG|LDAUJ}}, | ||
{{TAG|LDAUPRINT}}, | {{TAG|LDAUPRINT}}, | ||
{{TAG|LMAXMIX | {{TAG|LMAXMIX}} | ||
{{sc|LDAUL|Examples|Examples that use this tag}} | {{sc|LDAUL|Examples|Examples that use this tag}} | ||
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[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:DFT+U]] | [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:DFT+U]][[Category:Strongly correlated electrons]] | ||
Latest revision as of 09:34, 9 June 2026
LDAUL = [integer array]
Default: LDAUL = NTYP*2
Description: LDAUL specifies the [math]\displaystyle{ l }[/math]-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