BEXX: Difference between revisions

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{{DEF|BEXX|1|if {{TAG|LHFCALC}}{{=}}.TRUE.}}
{{DEF|BEXX|1|if {{TAG|LHFCALC}}{{=}}.TRUE.}}


Description: {{TAG|BEXX}} specifies the fraction of short-range exact exchange in range-separated hybrid-functionals when {{TAG|LMODELHF}}=.TRUE.
Description: {{TAG|BEXX}} specifies the fraction of short-range exact exchange in range-separated hybrid-functionals constructed with {{TAG|LMODELHF}}=.TRUE.
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The {{TAG|BEXX}} tag allows to set the fraction of short-range exact exchange in a Hartree-Fock-type/hybrid-functional calculation specified within the {{TAG|LMODELHF}} model.
The {{TAG|BEXX}} specifies the fraction of short-range exact exchange in range-separated hybrid-functionals. This tag can be used only when {{TAG|LMODELHF}}=.TRUE.


{{NB|mind|
{{NB|mind|Available as of VASP.6.6.0. Until VASP.6.5.1, the fraction of short-range exact exchange fixed to 1 and could not be changed.}}
*Available as of VASP.6.6.0. Until VASP.6.5.1, the fraction of short-range exact exchange fixed to 1 and could not be changed.
*The value of {{TAG|BEXX}} is used only when {{TAG|LMODELHF}}{{=}}.TRUE.
}}


== Related tags and articles ==
== Related tags and articles ==

Revision as of 10:04, 29 January 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.


The BEXX specifies the fraction of short-range exact exchange in range-separated hybrid-functionals. This tag can be used only when LMODELHF=.TRUE.


Mind: Available as of VASP.6.6.0. Until VASP.6.5.1, the fraction of short-range exact exchange fixed to 1 and could not be changed.

Related tags and articles

AEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, HFSCREEN, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism

Examples that use this tag

References