ALDAX

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Revision as of 10:23, 7 February 2024 by Ftran (talk | contribs)

ALDAX = [real] 

Default: ALDAX = 1.0-AEXX if LHFCALC=.TRUE.
= 1.0 if LHFCALC=.FALSE.

Description: ALDAX is a parameter that multiplies the LDA exchange functional or the LDA part of the GGA exchange functional.


ALDAX can be used as the fraction of LDA exchange in a Hartree-Fock/DFT hybrid functional.


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.
  • ALDAC is implemented for all functionals listed at GGA except AM05.
  • ALDAC is implemented for the functionals from Libxc (see LIBXC1 for details).

Related tags and articles

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

Examples that use this tag