LIBXC2: Difference between revisions

Revision as of 14:39, 17 February 2023

LIBXC2 = [string] or [integer]

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

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]

Revision as of 14:36, 17 February 2023 (view source) Ftran (talk \| contribs) No edit summary ← Older edit		Revision as of 14:39, 17 February 2023 (view source) Ftran (talk \| contribs) No edit summary Newer edit →
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}} 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.