LIBXC2: Difference between revisions
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{{TAGDEF|LIBXC2|[ | {{TAGDEF|LIBXC2|[string] or [integer]}} | ||
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}} | 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}}. {{TAG|LIBXC2}} can be used only if the functional specified with {{TAG|LIBXC1}} corresponds to only exchange and not to exchange and correlation. | ||
---- | ---- | ||
A detailed explanation | A detailed explanation of how to use {{TAG|LIBXC1}} and {{TAG|LIBXC2}} and examples can be found on the {{TAG|LIBXC1}} page. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
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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| | |||
Latest revision as of 13:19, 19 October 2023
LIBXC2 = [string] or [integer]
Description: LIBXC2 specifies the correlation functional from the library of exchange-correlation functionals Libxc[1][2][3]. LIBXC2 can be used only if the functional specified with LIBXC1 corresponds to only exchange and not to exchange and correlation.
A detailed explanation of how to use LIBXC1 and LIBXC2 and examples can be found on 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