LIBXC2: Difference between revisions
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{{TAG|LHFCALC}}, | {{TAG|LHFCALC}}, | ||
{{TAG|AEXX}}, | {{TAG|AEXX}}, | ||
{{TAG|ALDAX}}, | |||
{{TAG|ALDAC}}, | |||
{{TAG|AGGAX}}, | {{TAG|AGGAX}}, | ||
{{TAG|AGGAC}}, | {{TAG|AGGAC}}, | ||
[[list_of_hybrid_functionals|List of hybrid functionals]] | [[list_of_hybrid_functionals|List of hybrid functionals]] | ||
Revision as of 14:36, 17 February 2023
LIBXC2 = [integer] or [string]
Description: LIBXC2 specifies the correlation functional from the library of exchange-correlation functionals Libxc[1][2][3] that one wants to use. LIBXC2 can be used only if the functional specified with LIBXC1 corresponds to only exchange and not to exchange and correlation.
A detailed explanation on how to use LIBXC1 and LIBXC2 and examples can be found at the LIBXC1 page.
Related Tags and Sections
LIBXC1, LIBXC1_Pn, LIBXC2_Pn, LTBOUNDLIBXC, GGA, METAGGA, LHFCALC, AEXX, ALDAX, ALDAC, AGGAX, AGGAC, List of hybrid functionals