XC C: Difference between revisions

Latest revision as of 10:51, 19 March 2024

XC_C = [real array]
Default: XC_C = 1.0*NXC

Description: Multiplication factors for the components of the functional given by the XC tag.

XC_C sets the factors that multiply each component of the functional specified with the XC tag. The number of values specified with XC_C has to be equal to the number of functional components set with XC (NXC). Examples of how to use XC_C are provided at XC.

Mind:

XC_C is available since VASP.6.4.3.
The XC_C tag can be used together with the ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, and AMGGAC tags that can be used when LHFCALC=.TRUE.. Such examples are provided at XC.

@@ Line 6: / Line 6: @@
 {{TAG|XC_C}} sets the factors that multiply each component of the functional specified with the {{TAG|XC}} tag. The number of values specified with {{TAG|XC_C}} has to be equal to the number of functional components set with {{TAG|XC}} (NXC). Examples of how to use {{TAG|XC_C}} are provided at {{TAG|XC}}.
+{{NB|mind|
-Note that the {{TAG|XC_C}} tag can be combined with the tags {{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|ALDAX}}, {{TAG|ALDAC}}, {{TAG|AGGAX}}, {{TAG|AGGAC}}, {{TAG|AMGGAX}}, and {{TAG|AMGGAC}} that are also used to multiply a component of the functional with a factor.
+*{{TAG|XC_C}} is available since VASP.6.4.3.
+*The {{TAG|XC_C}} tag can be used together with the {{TAG|ALDAX}}, {{TAG|ALDAC}}, {{TAG|AGGAX}}, {{TAG|AGGAC}}, {{TAG|AMGGAX}}, and {{TAG|AMGGAC}} tags that can be used when {{TAG|LHFCALC}}{{=}}.TRUE.. Such examples are provided at {{TAG|XC}}.
+}}
 == Related tags and articles ==
@@ Line 25: / Line 27: @@
 ----
-<!--[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:GGA]][[Category:meta-GGA]][[Category:Hybrid_functionals]]-->
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:GGA]][[Category:meta-GGA]][[Category:Hybrid_functionals]]