LIBXC2

LIBXC2 = [string] or [integer]

Description: LIBXC2 specifies the correlation functional from the library of exchange-correlation functionals Libxc^[1]^[2]^[3]^[4]. 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).

[tran:arxiv:2026-3] F. Tran, S. Lehtola, S. Pittalis, and M. A. L. Marques, Semi-Local Exchange-Correlation Approximations in Density Functional Theory, arXiv 2602.17333 (2026).

[libxc-4] ttps://libxc.gitlab.io

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