AGGAC: Difference between revisions

Revision as of 11:11, 7 February 2024

AGGAC = [real] AGGAC = 1.0
Default: AGGAC = if LHFCALC $=$ .FALSE. or AEXX $\neq$ 1.0

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:

@@ Line 1: / Line 1: @@
 {{TAGDEF|AGGAC|[real]}}
-{{DEF|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}}
+{{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}}
 Description: {{TAG|AGGAC}} is a parameter that multiplies the gradient correction in the GGA correlation functional.