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|important|{{TAG|ALDAX}} can be used only if {{TAG|LHFCALC}}{{=}}.TRUE.}} | |||
{{NB|mind| | {{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. | *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. | ||
Latest revision as of 17:25, 14 February 2024
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.
| Important: ALDAX can be used only if LHFCALC=.TRUE. |
| Mind: |
Related tags and articles
AEXX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism