AGGAC: Difference between revisions
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{{TAG|AMGGAC}}, | {{TAG|AMGGAC}}, | ||
{{TAG|LHFCALC}}, | {{TAG|LHFCALC}}, | ||
[[list_of_hybrid_functionals|List of hybrid functionals]] | [[list_of_hybrid_functionals|List of hybrid functionals]], | ||
[[Hybrid_functionals:_formalism|Hybrid functionals: formalism]] | |||
{{sc|AGGAC|Examples|Examples that use this tag}} | {{sc|AGGAC|Examples|Examples that use this tag}} | ||
Revision as of 08:30, 18 October 2023
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.
Related tags and articles
AEXX, ALDAX, ALDAC, AGGAX, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism