AMGGAX: Difference between revisions
No edit summary |
No edit summary |
||
| (4 intermediate revisions by the same user not shown) | |||
| Line 4: | Line 4: | ||
Description: {{TAG|AMGGAX}} is a parameter that multiplies the meta-GGA exchange functional (available as of VASP.6.4.0). | Description: {{TAG|AMGGAX}} is a parameter that multiplies the meta-GGA exchange functional (available as of VASP.6.4.0). | ||
---- | ---- | ||
{{TAG|AMGGAX}} can be used as the fraction of meta-GGA in a Hartree-Fock/DFT hybrid functional (possible since VASP.6.4.0). | {{TAG|AMGGAX}} can be used as the fraction of meta-GGA exchange in a Hartree-Fock/DFT hybrid functional (possible since VASP.6.4.0). | ||
{{NB|important|{{TAG|AMGGAX}} can be used only if {{TAG|LHFCALC}}{{=}}.TRUE.}} | |||
{{NB|mind| | |||
*Note the difference with respect to {{TAG|AGGAX}}: {{TAG|AMGGAX}} multiplies the whole meta-GGA exchange functional, while {{TAG|AGGAX}} multiplies only the gradient-correction term of a GGA exchange functional. | |||
*{{TAG|AMGGAX}} is implemented for the functionals from Libxc (see {{TAG|LIBXC1}} for details).}} | |||
== Related tags and articles == | == Related tags and articles == | ||
| Line 14: | 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|AMGGAX|Examples|Examples that use this tag}} | {{sc|AMGGAX|Examples|Examples that use this tag}} | ||
Latest revision as of 14:00, 2 July 2024
AMGGAX = [real]
| Default: AMGGAX | = 1.0-AEXX | if LHFCALC=.TRUE. |
| = 1.0 | if LHFCALC=.FALSE. |
Description: AMGGAX is a parameter that multiplies the meta-GGA exchange functional (available as of VASP.6.4.0).
AMGGAX can be used as the fraction of meta-GGA exchange in a Hartree-Fock/DFT hybrid functional (possible since VASP.6.4.0).
| Important: AMGGAX can be used only if LHFCALC=.TRUE. |
| Mind: |
Related tags and articles
AEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAC, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism