LRHFCALC: Difference between revisions
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{{TAGDEF|LRHFCALC|.TRUE. {{!}} .FALSE. |.FALSE.}} | {{TAGDEF|LRHFCALC|.TRUE. {{!}} .FALSE. |.FALSE.}} | ||
Description: {{TAG|LRHFCALC}} selects a decomposition of the exchange functional for calculations with the range-separated hybrid RSHX functional. | Description: {{TAG|LRHFCALC}} selects a decomposition of the exchange functional for calculations with the [[:Category:Hybrid_functionals|range-separated hybrid RSHX functional]]. | ||
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If LRHFCALC=.TRUE. the exchange operator is decomposed into short- and long-range parts for calculations with the range-separated hybrid RSHX functional{{cite|gerber:cpl:2005}}{{cite|gerber:jcp:2007}} | If LRHFCALC=.TRUE. the exchange operator is decomposed into short- and long-range parts for calculations with the range-separated hybrid RSHX functional{{cite|gerber:cpl:2005}}{{cite|gerber:jcp:2007}} | ||
Revision as of 14:50, 17 October 2023
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- and long-range parts for calculations with the range-separated hybrid RSHX functional[1][2]
Related tags and articles
LHFCALC, HFSCREEN, AEXX, list_of_hybrid_functionals