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
References
- ↑ M. A. L. Marques, M. J. T. Oliveira, and T. Burnus, Comput. Phys. Commun., 183, 2272 (2012).
- ↑ S. Lehtola, C. Steigemann, M. J. T. Oliveira, and M. A. L. Marques, SoftwareX, 7, 1 (2018).
- ↑ F. Tran, S. Lehtola, S. Pittalis, and M. A. L. Marques, Semi-Local Exchange-Correlation Approximations in Density Functional Theory, arXiv 2602.17333 (2026).
- ↑ https://libxc.gitlab.io