AMGGAC: Difference between revisions
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{{TAGDEF|AMGGAC|[real]|1.0 if {{TAG|AEXX}}<math>\neq</math>1.0 | {{TAGDEF|AMGGAC|[real]}} | ||
{{DEF|AMGGAC|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: {{TAG|AMGGAC}} is a parameter that multiplies the meta-GGA correlation (available as of VASP.6.4.0). | Description: {{TAG|AMGGAC}} is a parameter that multiplies the meta-GGA correlation functional (available as of VASP.6.4.0). | ||
---- | ---- | ||
{{TAG|AMGGAC}} can be used as the fraction of meta-GGA correlation in a Hartree-Fock/DFT hybrid functional. | |||
{{NB|mind|Note the difference with respect to {{TAG|AGGAC}}: {{TAG|AMGGAC}} multiplies the whole meta-GGA correlation functional, while {{TAG|AGGAC}} multiplies only the gradient-correction term of a GGA correlation functional.}} | |||
== Related tags and articles == | == Related tags and articles == | ||
| Line 12: | Line 15: | ||
{{TAG|AMGGAX}}, | {{TAG|AMGGAX}}, | ||
{{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|AMGGAC|Examples|Examples that use this tag}} | {{sc|AMGGAC|Examples|Examples that use this tag}} | ||
Latest revision as of 14:02, 2 July 2024
AMGGAC = [real]
| Default: AMGGAC | = 1.0 | if LHFCALC.FALSE. or AEXX1.0 |
| = 0.0 | if LHFCALC.TRUE. and AEXX1.0 |
Description: AMGGAC is a parameter that multiplies the meta-GGA correlation functional (available as of VASP.6.4.0).
AMGGAC can be used as the fraction of meta-GGA correlation in a Hartree-Fock/DFT hybrid functional.
| Mind: Note the difference with respect to AGGAC: AMGGAC multiplies the whole meta-GGA correlation functional, while AGGAC multiplies only the gradient-correction term of a GGA correlation functional. |
Related tags and articles
AEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, LHFCALC, List of hybrid functionals, Hybrid functionals: formalism