ALDAC: Difference between revisions

Latest revision as of 10:22, 7 February 2024

ALDAC = [real]

Default: ALDAC	= 1.0	if LHFCALC $=$ .FALSE. or AEXX $\neq$ 1.0
	= 0.0	if LHFCALC $=$ .TRUE. and AEXX $=$ 1.0

Description: ALDAC is a parameter that multiplies the LDA correlation functional or the LDA part of the GGA correlation functional.

ALDAC can be used as the fraction of LDA correlation in a Hartree-Fock/DFT hybrid functional.

Mind:

@@ Line 1: / Line 1: @@
-{{TAGDEF|ALDAC|[real]|1.0 if {{TAG|AEXX}}<math>\neq</math>1.0 or 0.0 if {{TAG|LHFCALC}}<math>=</math>.TRUE. and {{TAG|AEXX}}<math>=</math>1.0}}
+{{TAGDEF|ALDAC|[real]}}
+{{DEF|ALDAC|1.0 | if {{TAG|LHFCALC}}<math>=</math>.FALSE. or {{TAG|AEXX}}<math>\neq</math>1.0 | 0.0 | if {{TAG|LHFCALC}}<math>=</math>.TRUE. and {{TAG|AEXX}}<math>=</math>1.0}}
-Description: ALDAX is a parameter that multiplies the LDA correlation functional or the LDA part of the GGA correlation functional.
+Description: {{TAG|ALDAC}} is a parameter that multiplies the LDA correlation functional or the LDA part of the GGA correlation functional.
 ----
+{{TAG|ALDAC}} can be used as the fraction of LDA correlation in a Hartree-Fock/DFT hybrid functional.
+{{NB|mind|
+*{{TAG|ALDAC}} is implemented for all functionals listed at {{TAG|GGA}} except AM05.
+*{{TAG|ALDAC}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details).
+}}
 == Related tags and articles ==
@@ Line 12: / Line 18: @@
 {{TAG|AMGGAC}},
 {{TAG|LHFCALC}},
-[[list_of_hybrid_functionals|List of hybrid functionals]]
+[[list_of_hybrid_functionals|List of hybrid functionals]],
+[[Hybrid_functionals:_formalism|Hybrid functionals: formalism]]
-{{sc|AMGGAC|Examples|Examples that use this tag}}
+{{sc|ALDAC|Examples|Examples that use this tag}}
 ----
 [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:Hybrid_functionals]]