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 | Description: {{TAG|BEXX}} specifies the fraction of short-range exact exchange in range-separated hybrid-functionals when {{TAG|LMODELHF}}=.TRUE. | ||
---- | ---- | ||
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. | |||
{{NB|mind| | {{NB|mind| | ||
*Available as of VASP.6.6.0. | *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. | *The value of {{TAG|BEXX}} is used only when {{TAG|LMODELHF}}{{=}}.TRUE. | ||
}} | }} | ||
Revision as of 09:59, 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 when LMODELHF=.TRUE.
The BEXX tag allows to set the fraction of short-range exact exchange in a Hartree-Fock-type/hybrid-functional calculation specified within the LMODELHF model.
| Mind: |
Related tags and articles
AEXX, ALDAX, ALDAC, AGGAX, AGGAC, AMGGAX, AMGGAC, LHFCALC, HFSCREEN, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism
References