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. | ||
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For {{TAG|LDAUL}}=-1 no on-site interaction is added. | For {{TAG|LDAUL}}=-1 no on-site interaction is added. | ||
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{{TAG|LDAUU}}, | {{TAG|LDAUU}}, | ||
{{TAG|LDAUJ}}, | {{TAG|LDAUJ}}, | ||
{{TAG|LDAUPRINT}} | {{TAG|LDAUPRINT}}, | ||
{{TAG|LMAXMIX}} | |||
{{sc|LDAUL|Examples|Examples that use this tag}} | {{sc|LDAUL|Examples|Examples that use this tag}} | ||
Latest revision as of 15:46, 27 February 2025
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