LIBXC2: Difference between revisions
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{{TAGDEF|LIBXC2|[integer] or [string]}} | {{TAGDEF|LIBXC2|[integer] or [string]}} | ||
Description: {{TAG|LIBXC2}} specifies the correlation functional from the library of exchange-correlation functionals Libxc{{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}}{{cite|libxc}} that one wants to use. | Description: {{TAG|LIBXC2}} specifies the correlation functional from the library of exchange-correlation functionals Libxc{{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}}{{cite|libxc}} that one wants to use. {{TAG|LIBXC2}} can be used only if {{TAG|LIBXC1}} corresponds to an exchange functional and not directly to an exchange-correkation functional. | ||
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Revision as of 08:07, 17 January 2022
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 LIBXC1 corresponds to an exchange functional and not directly to an exchange-correkation functional.
LIBXC2 can be either integers or strings. A detailed explanation can be foun
Related Tags and Sections
LIBXC1, LIBXC1_Pn, LIBXC2_Pn, LTBOUNDLIBXC, GGA, METAGGA, LHFCALC, AEXX, AGGAX, AGGAC, ALDAC, hybrid functionals, settings for specific hybrid functionals