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>\ell</math>-quantum number for which the on-site interaction is added.
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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'''Mind''': one ''has'' to specify one number for each atomic species.
'''Mind''': one ''has'' to specify one number for each atomic species.


== Related Tags and Sections ==
== 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}}
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:LSDA+U]]
[[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

Examples that use this tag