ALDAX: Difference between revisions
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*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. | ||
*{{TAG| | *{{TAG|ALDAX}} is implemented for all functionals listed at {{TAG|GGA}} except AM05. | ||
*{{TAG| | *{{TAG|ALDAX}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details). | ||
}} | }} | ||
Revision as of 10:23, 7 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.
| Mind: |
Related tags and articles
AEXX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism