LRHFCALC

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Revision as of 12:55, 17 October 2023 by Ftran (talk | contribs)

LRHFCALC = .TRUE. | .FALSE.
Default: LRHFCALC = .FALSE. 

Description: LRHFCALC selects a decomposition of the exchange functional for calculations with the range-separated hybrid RSHX functional.


If LRHFCALC=.TRUE. the decomposition of the exchange operator (in a range separated hybrid functional) into a short range and a long range part.

Related tags and articles

LHFCALC, AEXX, HFSCREEN, list_of_hybrid_functionals

Examples that use this tag