LIBXC1
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