LRHFCALC

From VASP Wiki
Revision as of 18:20, 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 exchange operator is decomposed into short-range and long-range parts for calculations with the range-separated hybrid RSHX functional.[1][2] The screening is specified by means of the HFSCREEN tag.

Related tags and articles

LHFCALC, HFSCREEN, AEXX, list_of_hybrid_functionals

Examples that use this tag