AEXX: Difference between revisions

Revision as of 10:15, 29 January 2026

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.

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.

@@ Line 9: / Line 9: @@
 == Related tags and articles ==
+{{TAG|BEXX}},
 {{TAG|ALDAX}},
 {{TAG|ALDAC}},
@@ Line 18: / Line 19: @@
 {{TAG|HFSCREEN}},
 {{TAG|LRHFCALC}},
+{{TAG|LMODELHF}},
 [[List_of_hybrid_functionals|List of hybrid functionals]],
 [[Hybrid_functionals:_formalism|Hybrid functionals: formalism]]