ALDAX: Difference between revisions

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


{{NB|mind| 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.}}
{{NB|mind| 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 10:04, 16 February 2023

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.

Related tags and articles

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

Examples that use this tag