LIBXC2: Difference between revisions

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

[marques:cpc:2012-1] M. A. L. Marques, M. J. T. Oliveira, and T. Burnus, Comput. Phys. Commun., 183, 2272 (2012).

[lehtola:sx:2018-2] S. Lehtola, C. Steigemann, M. J. T. Oliveira, and M. A. L. Marques, SoftwareX, 7, 1 (2018).

[libxc-3] ttps://libxc.gitlab.io

[1]

[2]

[3]

@@ Line 1: / Line 1: @@
-{{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 only exchange and not 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.
 ----
-A detailed explanation on how to use {{TAG|LIBXC1}} and {{TAG|LIBXC2}} and examples 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 ==
@@ Line 15: / Line 15: @@
 {{TAG|LHFCALC}},
 {{TAG|AEXX}},
+{{TAG|ALDAX}},
+{{TAG|ALDAC}},
 {{TAG|AGGAX}},
 {{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]]
@@ Line 28: / Line 28: @@
 ----
+[[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]]