AEXX

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Revision as of 20:01, 17 October 2023 by Ftran (talk | contribs)

AEXX = [real] 

Default: AEXX = 0.25 if LHFCALC=.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.

Related tags and articles

ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, HFSCREEN, List of hybrid functionals

Examples that use this tag

References