ALDAX: Difference between revisions
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{{TAG|ALDAX}} can be used as the fraction of LDA exchange in a Hartree-Fock/LDA or Hartree-Fock/GGA hybrid functional. | {{TAG|ALDAX}} can be used as the fraction of LDA exchange in a Hartree-Fock/LDA or Hartree-Fock/GGA hybrid functional. | ||
Note that for versions of VASP prior to 6.4.0, {{TAG|ALDAX}} was constrained to be equal to 1.0-{{TAG|AEXX}}. This constraint | Note that for versions of VASP prior to 6.4.0, {{TAG|ALDAX}} was constrained to be equal to 1.0-{{TAG|AEXX}}. This constraint is lifted since VASP.6.4.0. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 15:42, 15 February 2023
ALDAX = [real]
Default: ALDAX = 1.0-AEXX if LHFCALC=.TRUE. or 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/LDA or Hartree-Fock/GGA hybrid functional.
Note that 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.
Related tags and articles
AEXX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals