LIBXC2: Difference between revisions

Revision as of 11:32, 8 April 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 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, AGGAX, AGGAC, ALDAC, settings for specific 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]

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	[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:GGA]][[Category:metaGGA]][[Category:~~Hybrids~~]]		[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:GGA]][[Category:metaGGA]][[Category:Hybrid_functionals]]