BEXX: Difference between revisions
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Description: {{TAG|BEXX}} specifies the fraction of short-range exact exchange in range-separated hybrid-functionals constructed with {{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}} 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: formalism]] | 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. 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: formalism]]. | ||
{{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.}} | {{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.}} | ||
Revision as of 10:09, 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. More details can be found in the description of this class of Hybrid functionals: formalism.
| 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
References