ALDAC: Difference between revisions
No edit summary |
No edit summary |
||
| (3 intermediate revisions by the same user not shown) | |||
| Line 2: | Line 2: | ||
{{DEF|ALDAC|1.0 | if {{TAG|LHFCALC}}<math>=</math>.FALSE. or {{TAG|AEXX}}<math>\neq</math>1.0 | 0.0 | if {{TAG|LHFCALC}}<math>=</math>.TRUE. and {{TAG|AEXX}}<math>=</math>1.0}} | {{DEF|ALDAC|1.0 | if {{TAG|LHFCALC}}<math>=</math>.FALSE. or {{TAG|AEXX}}<math>\neq</math>1.0 | 0.0 | if {{TAG|LHFCALC}}<math>=</math>.TRUE. and {{TAG|AEXX}}<math>=</math>1.0}} | ||
Description: ALDAC is a parameter that multiplies the LDA correlation functional or the LDA part of the GGA correlation functional. | Description: {{TAG|ALDAC}} is a parameter that multiplies the LDA correlation functional or the LDA part of the GGA correlation functional. | ||
---- | ---- | ||
{{TAG|ALDAC}} can be used as the fraction of LDA correlation in a Hartree-Fock/DFT hybrid functional. | |||
{{NB|mind| | |||
*{{TAG|ALDAC}} is implemented for all functionals listed at {{TAG|GGA}} except AM05. | |||
*{{TAG|ALDAC}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details). | |||
}} | |||
== Related tags and articles == | == Related tags and articles == | ||
| Line 13: | Line 18: | ||
{{TAG|AMGGAC}}, | {{TAG|AMGGAC}}, | ||
{{TAG|LHFCALC}}, | {{TAG|LHFCALC}}, | ||
[[list_of_hybrid_functionals|List of hybrid functionals]] | [[list_of_hybrid_functionals|List of hybrid functionals]], | ||
[[Hybrid_functionals:_formalism|Hybrid functionals: formalism]] | |||
{{sc|ALDAC|Examples|Examples that use this tag}} | {{sc|ALDAC|Examples|Examples that use this tag}} | ||
Latest revision as of 10:22, 7 February 2024
ALDAC = [real]
| Default: ALDAC | = 1.0 | if LHFCALC.FALSE. or AEXX1.0 |
| = 0.0 | if LHFCALC.TRUE. and AEXX1.0 |
Description: ALDAC is a parameter that multiplies the LDA correlation functional or the LDA part of the GGA correlation functional.
ALDAC can be used as the fraction of LDA correlation in a Hartree-Fock/DFT hybrid functional.
| Mind: |
Related tags and articles
AEXX, ALDAX, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism