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LIBXC1

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Revision as of 14:38, 20 December 2021 by Ftran (talk | contribs)

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



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Related Tags and Sections

AGGAX, AGGAC, ALDAC, LHFCALC, hybrid functionals, settings for specific hybrid functionals

Examples that use this tag

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