LIBXC1: Difference between revisions
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== References == | |||
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<ref name="lehtola:sx:18">[https://doi.org/10.1016/j.softx.2017.11.002 S. Lehtola, C. Steigmann, M. J. T. Oliveira, and M. A. L. Marques, SoftwareX 7, 1 (2018).]</ref> | <ref name="lehtola:sx:18">[https://doi.org/10.1016/j.softx.2017.11.002 S. Lehtola, C. Steigmann, M. J. T. Oliveira, and M. A. L. Marques, SoftwareX 7, 1 (2018).]</ref> | ||
Revision as of 14:39, 20 December 2021
LIBXC1/LIBXC2 = [integer] or string
Description: LIBXC1/LIBXC2 specify the functionals from the library of exchange-correlation functionals that one wants to use.
LIBXC1 and LIBXC2 can be either integers (e.g, 101 for PBE exchange) or strings (e.g., GGA_X_PBE). The list
References
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Related Tags and Sections
AGGAX, AGGAC, ALDAC, LHFCALC, hybrid functionals, settings for specific hybrid functionals