AGGAX: Difference between revisions
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{{DEF|AGGAX|1.0-{{TAG|AEXX}} | if {{TAG|LHFCALC}}{{=}}.TRUE. | 1.0 | if {{TAG|LHFCALC}}{{=}}.FALSE.}} | {{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 functional. | ||
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{{TAG|AGGAX}} can be used as the fraction of gradient correction in the GGA exchange in a Hartree-Fock/GGA hybrid functional. | {{TAG|AGGAX}} can be used as the fraction of gradient correction in the GGA exchange in a Hartree-Fock/GGA hybrid functional. | ||
Revision as of 21:26, 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 functional.
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