AGGAC: Difference between revisions

Latest revision as of 11:12, 7 February 2024

AGGAC = [real]

Default: AGGAC	= 1.0	if LHFCALC $=$ .FALSE. or AEXX $\neq$ 1.0
	= 0.0	if LHFCALC $=$ .TRUE. and AEXX $=$ 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]}}
-{{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}}
+{{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}}
 Description: {{TAG|AGGAC}} is a parameter that multiplies the gradient correction in the GGA correlation functional.