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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{{TAGDEF|BEXX|[real]}} | {{TAGDEF|BEXX|[real]}} | ||
{{DEF|BEXX| | {{DEF|BEXX|1|if {{TAG|LHFCALC}}{{=}}.TRUE.}} | ||
Description: {{TAG| | Description: {{TAG|BEXX}} specifies the fraction of short-range exact exchange in range-separated hybrid-functionals constructed with {{TAG|LMODELHF}}=.TRUE. | ||
{{Available|6.6.0}} | |||
{{NB|important|Until VASP.6.5.1, the fraction of short-range exact exchange (when {{TAG|LMODELHF}}{{=}}.TRUE.) was fixed to 1 and could not be changed.}} | |||
---- | ---- | ||
{{ | {{not released}} | ||
The {{TAG|BEXX}} tag specifies the fraction of short-range exact exchange in range-separated hybrid-functionals. This tag can be used only when {{TAG|LMODELHF}}=.TRUE. More details can be found in the description of this class of [[Hybrid_functionals:_formalism#HF_exchange_at_short_range_and_long_range_(error-function_screening)_with_different_mixings|hybrid functionals]]. | |||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|AEXX}}, | {{TAG|AEXX}}, | ||
{{TAG|LMODELHF}}, | |||
{{TAG|ALDAX}}, | {{TAG|ALDAX}}, | ||
{{TAG|ALDAC}}, | {{TAG|ALDAC}}, | ||
Latest revision as of 16:42, 5 February 2026
BEXX = [real]
| Default: BEXX | = 1 | if LHFCALC=.TRUE. |
Description: BEXX specifies the fraction of short-range exact exchange in range-separated hybrid-functionals constructed with LMODELHF=.TRUE.
| Mind: Available as of VASP 6.6.0 |
| Important: Until VASP.6.5.1, the fraction of short-range exact exchange (when LMODELHF=.TRUE.) was fixed to 1 and could not be changed. |
Warning: Not yet released!
This page contains information about a feature that will be available in a future release of VASP. In other words, currently you cannot use it even with the latest version of VASP. The information may change significantly until it is released.
The BEXX tag specifies the fraction of short-range exact exchange in range-separated hybrid-functionals. This tag can be used only when LMODELHF=.TRUE. More details can be found in the description of this class of hybrid functionals.
Related tags and articles
AEXX, LMODELHF, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, HFSCREEN, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism
References