LDAUL: Difference between revisions
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{{TAGDEF|LDAUL|[integer array]|NTYP*2}} | {{TAGDEF|LDAUL|[integer array]|NTYP*2}} | ||
Description: {{TAG|LDAUL}} specifies the <math> | Description: {{TAG|LDAUL}} specifies the <math>l</math>-quantum number for which the on-site interaction is added. | ||
---- | ---- | ||
For {{TAG|LDAUL}}=-1 no on-site interaction is added. | For {{TAG|LDAUL}}=-1 no on-site interaction is added. | ||
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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}}, | ||
{{TAG|LDAUU}}, | {{TAG|LDAUU}}, | ||
{{TAG|LDAUJ}}, | {{TAG|LDAUJ}}, | ||
{{TAG|LDAUPRINT}} | {{TAG|LDAUPRINT}}, | ||
{{TAG|LMAXMIX}}, | |||
{{TAG|DFT+U: formalism}} | |||
{{sc|LDAUL|Examples|Examples that use this tag}} | {{sc|LDAUL|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category: | [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:DFT+U]] | ||
Latest revision as of 13:11, 11 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, LMAXMIX, DFT+U: formalism