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AGGAX

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Revision as of 13:20, 6 February 2024 by Ftran (talk | contribs)

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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.

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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