AGGAX

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AGGAX = [real] 

Default: AGGAX = 1.0-AEXX if LHFCALC=.TRUE.
= 1.0 if LHFCALC=.FALSE.

Description: AGGAX is a parameter that multiplies the gradient correction in the GGA exchange functional.

AGGAX can be used as the fraction of gradient correction in the GGA exchange in a Hartree-Fock/GGA hybrid functional.

Important: AGGAX can be used only if LHFCALC=.TRUE.
Mind:
  • AGGAX is implemented for all functionals listed at GGA except AM05.
  • AGGAX is implemented for the functionals from Libxc (see LIBXC1 for details).

Related tags and articles

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

Examples that use this tag

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