AEXX

AEXX = [real] 

Default: AEXX	= 0.25	if LHFCALC=.TRUE. .AND. LRHFCALC=.FALSE.
	= 1	if LRHFCALC=.TRUE.
	= 0	if LHFCALC=.FALSE.

Description: AEXX specifies the fraction of exact exchange in a Hartree-Fock-type/hybrid-functional calculation.

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Mind: For versions of VASP prior to 6.4.0, ALDAX was constrained to be equal to 1.0-AEXX. This constraint is lifted since VASP.6.4.0. For AEXX=1.0, VASP switches off correlation by default (ALDAC=0.0, AGGAC=0.0, and AMGGAC=0.0) and thus runs a full Hartree-Fock calculation.

Related tags and articles

BEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, HFSCREEN, LMODELHF, LTHOMAS, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism

Examples that use this tag

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