AGGAC: Difference between revisions

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{{NB|mind|
{{NB|mind|
*{{TAG|AGGAC}} is implemented for all functionals listed at {{TAG|GGA}} except AM05.
*{{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).
*{{TAG|AGGAC}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details).
}}
}}



Latest revision as of 11:12, 7 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