LDAUL: Difference between revisions

Latest revision as of 13:11, 11 April 2022

LDAUL = [integer array]
Default: LDAUL = NTYP*2

Description: LDAUL specifies the $l$ -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.

@@ Line 1: / Line 1: @@
 {{TAGDEF|LDAUL|[integer array]|NTYP*2}}
-Description: {{TAG|LDAUL}} specifies the ''l''-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.
 ----
 For {{TAG|LDAUL}}=-1 no on-site interaction is added.
@@ Line 7: / Line 7: @@
 '''Mind''': one ''has'' to specify one number for each atomic species.
-== Related Tags and Sections ==
+== Related tags and articles ==
 {{TAG|LDAU}},
 {{TAG|LDAUTYPE}},
 {{TAG|LDAUU}},
 {{TAG|LDAUJ}},
-{{TAG|LDAUPRINT}}
+{{TAG|LDAUPRINT}},
+{{TAG|LMAXMIX}},
+{{TAG|DFT+U: formalism}}
-== Example Calculations using this Tag ==
+{{sc|LDAUL|Examples|Examples that use this tag}}
-{{TAG|Constraining the local magnetic moments}}, {{TAG|Determining the Magnetic Anisotropy}}, {{TAG|Estimation of J magnetic coupling}}, {{TAG|Including the Spin-Orbit Coupling}}, {{TAG|NiO GGA+U}}, {{TAG|NiO LSDA+U}}
 ----
-[[The_VASP_Manual|Contents]]
-[[Category:INCAR]][[Category:LDA+U]]
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:DFT+U]]