ALDAX: Difference between revisions
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Description: {{TAG|ALDAX}} is a parameter that multiplies the LDA exchange functional or the LDA part of the GGA exchange functional. | Description: {{TAG|ALDAX}} is a parameter that multiplies the LDA exchange functional or the LDA part of the GGA exchange functional. | ||
---- | ---- | ||
{{TAG|ALDAX}} can be used as the fraction of LDA exchange in a Hartree-Fock/ | {{TAG|ALDAX}} can be used as the fraction of LDA exchange in a Hartree-Fock/DFT 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 is lifted since VASP.6.4.0. | 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. | ||
Revision as of 21:31, 15 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.
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