AGGAC: Difference between revisions

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{{TAG|AGGAC}} can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/DFT 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 ==
== Related tags and articles ==

Revision as of 13:22, 6 February 2024

AGGAC = [real] 

Default: AGGAC = 1.0 if LHFCALC.FALSE. or AEXX1.0
= 0.0 if LHFCALC.TRUE. and AEXX1.0

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:
  • AGGAC is implemented for all functionals listed at GGA except AM05.
  • AGGAC is implemented for the functionals from Libxc, (see LIBXC1 for details).

Related tags and articles

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

Examples that use this tag