AGGAC: Difference between revisions

Latest revision as of 11:12, 7 February 2024

AGGAC = [real]

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

Description: AGGAC is a parameter that multiplies the gradient correction in the GGA correlation functional.

AGGAC can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/DFT hybrid functional.

Mind:

@@ Line 1: / Line 1: @@
-{{TAGDEF|AGGAC|[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|AGGAC|[real]}}
+{{DEF|AGGAC|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: {{TAG|AGGAC}} is a parameter that multiplies the gradient correction in the GGA correlation.
+Description: {{TAG|AGGAC}} is a parameter that multiplies the gradient correction in the GGA correlation functional.
 ----
-{{TAG|AGGAC}} can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/GGA hybrid functional.
+{{TAG|AGGAC}} can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/DFT hybrid functional.
+{{NB|mind|
+*{{TAG|AGGAC}} is implemented for all functionals listed at {{TAG|GGA}} except AM05.
+*{{TAG|AGGAC}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details).
+}}
 == Related tags and articles ==
@@ Line 13: / 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|AGGAC|Examples|Examples that use this tag}}