BEXX: Difference between revisions
(Created page with "{{TAGDEF|BEXX|[real]}} {{DEF|BEXX|0.25|if {{TAG|LHFCALC}}{{=}}.TRUE. .AND. {{TAG|LRHFCALC}}{{=}}.FALSE.|1|if {{TAG|LRHFCALC}}{{=}}.TRUE.|0|if {{TAG|LHFCALC}}{{=}}.FALSE.}} Description: {{TAG|AEXX}} specifies the fraction of exact exchange in a Hartree-Fock-type/hybrid-functional calculation. ---- {{NB|mind| *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 {{TAG|AEXX}}{{=...") |
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Description: {{TAG|AEXX}} specifies the fraction of exact exchange in a Hartree-Fock-type/hybrid-functional calculation. | Description: {{TAG|AEXX}} specifies the fraction of exact exchange in a Hartree-Fock-type/hybrid-functional calculation. | ||
{{Available|6.6.0}} | |||
---- | ---- | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 09:41, 29 January 2026
BEXX = [real]
| Default: BEXX | = 0.25 | if LHFCALC=.TRUE. .AND. LRHFCALC=.FALSE. |
| = 1 | if LRHFCALC=.TRUE. | |
| = 0 | if LHFCALC=.FALSE. |
Description: AEXX specifies the fraction of exact exchange in a Hartree-Fock-type/hybrid-functional calculation.
| Mind: Available as of VASP 6.6.0 |
Related tags and articles
AEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, HFSCREEN, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism
References