AMGGAC: Difference between revisions

Latest revision as of 14:02, 2 July 2024

AMGGAC = [real]

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

Description: AMGGAC is a parameter that multiplies the meta-GGA correlation functional (available as of VASP.6.4.0).

AMGGAC can be used as the fraction of meta-GGA correlation in a Hartree-Fock/DFT hybrid functional.

Mind: Note the difference with respect to AGGAC: AMGGAC multiplies the whole meta-GGA correlation functional, while AGGAC multiplies only the gradient-correction term of a GGA correlation functional.

Related tags and articles

AEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism

Examples that use this tag

@@ Line 1: / Line 1: @@
-{{TAGDEF|AMGGAC|[real]|1.0 if {{TAG|AEXX}}<math>\neq</math>1.0 or 0.0 if {{TAG|AEXX}}<math>=</math>1.0}}
+{{TAGDEF|AMGGAC|[real]}}
+{{DEF|AMGGAC|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|AMGGAX}} specifies the fraction of meta-GGA exchange in a Hartree-Fock/meta-GGA hybrid functional type calculation.
+Description: {{TAG|AMGGAC}} is a parameter that multiplies the meta-GGA correlation functional (available as of VASP.6.4.0).
 ----
+{{TAG|AMGGAC}} can be used as the fraction of  meta-GGA correlation in a Hartree-Fock/DFT hybrid functional.
+{{NB|mind|Note the difference with respect to {{TAG|AGGAC}}: {{TAG|AMGGAC}} multiplies the whole meta-GGA correlation functional, while {{TAG|AGGAC}} multiplies only the gradient-correction term of a GGA correlation functional.}}
 == Related tags and articles ==
 {{TAG|AEXX}},
+{{TAG|ALDAX}},
 {{TAG|ALDAC}},
 {{TAG|AGGAX}},
 {{TAG|AGGAC}},
-{{TAG|AMGGAC}},
+{{TAG|AMGGAX}},
 {{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|AMGGAX|Examples|Examples that use this tag}}
+{{sc|AMGGAC|Examples|Examples that use this tag}}
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 [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:Hybrid_functionals]]