AGGAC

AGGAC = [real] 

Default: AGGAC	= 1.0	if LHFCALC[math]\displaystyle{ = }[/math].FALSE. or AEXX[math]\displaystyle{ \neq }[/math]1.0
	= 0.0	if LHFCALC[math]\displaystyle{ = }[/math].TRUE. and AEXX[math]\displaystyle{ = }[/math]1.0

Description: AGGAC is a parameter that multiplies the gradient correction in the GGA correlation functional.

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AGGAC can be used as the fraction of gradient correction in the GGA correlation in a Hartree-Fock/DFT hybrid functional.

Mind: AGGAC is implemented for all functionals listed at GGA except AM05. AGGAC is implemented for the functionals from Libxc (see LIBXC1 for details).

Related tags and articles

AEXX, ALDAX, ALDAC, AGGAX, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism

Examples that use this tag

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