AGGAX: Difference between revisions

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{{TAGDEF|AGGAX|[real]|1.0-{{TAG|AEXX}} if {{TAG|LHFCALC}}{{=}}.TRUE. or 1.0 if {{TAG|LHFCALC}}{{=}}.FALSE.}}
{{TAGDEF|AGGAX|[real]}}
{{DEF|AGGAX|1.0-{{TAG|AEXX}} | if {{TAG|LHFCALC}}{{=}}.TRUE. | 1.0 | if {{TAG|LHFCALC}}{{=}}.FALSE.}}


Description: {{TAG|AGGAX}} is a parameter that multiplies the gradient correction in the GGA exchange.
Description: {{TAG|AGGAX}} is a parameter that multiplies the gradient correction in the GGA exchange.

Revision as of 16:22, 15 February 2023

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.


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

Related tags and articles

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

Examples that use this tag