LRHFCALC: Difference between revisions

Revision as of 12:55, 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 decomposition of the exchange operator (in a range separated hybrid functional) into a short range and a long range part.

@@ Line 1: / Line 1: @@
 {{TAGDEF|LRHFCALC|.TRUE. {{!}} .FALSE. |.FALSE.}}
-Description: {{TAG|LRHFCALC}} specifies whether the only the long-range Hartree-Fock is used.
+Description: {{TAG|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 ==
+{{TAG|LHFCALC}},
 {{TAG|AEXX}},
-{{TAG|ALDAX}},
-{{TAG|ALDAC}},
-{{TAG|AGGAX}},
-{{TAG|AGGAC}},
-{{TAG|AMGGAX}},
-{{TAG|AMGGAC}},
 {{TAG|HFSCREEN}},
-[[list_of_hybrid_functionals|settings for specific hybrid functionals]]
+[[list_of_hybrid_functionals|list_of_hybrid_functionals]]
 {{sc|LRHFCALC|Examples|Examples that use this tag}}