AGGAC: Difference between revisions

Revision as of 11:11, 7 February 2024

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:

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 {{TAGDEF|AGGAC|[real]}}
-{{TAGDEF|AGGAC|1.0 | if {{TAG|LHFCALC}}<math>=</math>.FALSE. or {{TAG|AEXX}}<math>\neq</math>1.0 | 0.0 | if {{TAG|LHFCALC}}<math>=</math>.TRUE. and {{TAG|AEXX}}<math>=</math>1.0}}
+{{TAG|AGGAC|1.0 | if {{TAG|LHFCALC}}<math>=</math>.FALSE. or {{TAG|AEXX}}<math>\neq</math>1.0 | 0.0 | if {{TAG|LHFCALC}}<math>=</math>.TRUE. and {{TAG|AEXX}}<math>=</math>1.0}}
 Description: {{TAG|AGGAC}} is a parameter that multiplies the gradient correction in the GGA correlation functional.