AGGAC: Difference between revisions
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{{TAG|AGGAC}} can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/DFT hybrid functional. | {{TAG|AGGAC}} can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/DFT hybrid functional. | ||
{{NB|mind| | {{NB|mind| | ||
*{{TAG|AGGAC}} is implemented for all functionals listed at {{TAG|GGA}} except AM05. | *{{TAG|AGGAC}} is implemented for all functionals listed at {{TAG|GGA}} except AM05. | ||
*{{TAG|AGGAC}} is implemented for the functionals from Libxc | *{{TAG|AGGAC}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details). | ||
}} | }} | ||
Latest revision as of 11:12, 7 February 2024
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.
| Mind: |
Related tags and articles
AEXX, ALDAX, ALDAC, AGGAX, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism