LDAUL: Difference between revisions
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'''Mind''': one ''has'' to specify one number for each atomic species. | '''Mind''': one ''has'' to specify one number for each atomic species. | ||
== Related | == Related tags and articles == | ||
{{TAG|LDAU}}, | {{TAG|LDAU}}, | ||
{{TAG|LDAUTYPE}}, | {{TAG|LDAUTYPE}}, | ||
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{{sc|LDAUL|Examples|Examples that use this tag}} | {{sc|LDAUL|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:DFT+U]] | [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:DFT+U]] | ||
Revision as of 14:29, 8 April 2022
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