LIBXC2: Difference between revisions

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{{TAGDEF|LIBXC2|[integer] or [string]}}
{{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}} that one wants to use. {{TAG|LIBXC2}} can be used only if the functional specified with {{TAG|LIBXC1}} corresponds to exchange and not directly to exchange and correlation.
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.


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{{TAG|LIBXC2}} can be either an integer or a string. A detailed explanation on how to use {{TAG|LIBXC1}} and {{TAG|LIBXC2}} can be found at the {{TAG|LIBXC1}} page.
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}},
{{TAG|ALDAC}},
[[list_of_hybrid_functionals|List of hybrid functionals]]
[[Hartree-Fock_and_HF/DFT_hybrid_functionals|hybrid functionals]],
[[specific_hybrid_functionals|settings for specific hybrid functionals]]




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[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:GGA]][[Category:meta-GGA]][[Category:Hybrid_functionals]]
[[Category:INCAR]][[Category:XC Functionals]][[Category:GGA]][[Category:metaGGA]][[Category:Hybrids]]

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


Examples that use this tag

References