XC

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XC = Combination of functionals 

Description: XC specifies a combination of exchange-correlation functionals.

A combination of semilocal functionals can be specified with the XC tag. The functionals that can be combined are

Examples of INCAR

GGA = LIBXC
LIBXC1 = GGA_X_PBE # or 101
LIBXC2 = GGA_C_PBE # or 130



Related tags and articles

XC_C, LIBXC1, LIBXC2, ALDAX, ALDAC, AGGAX, AGGAC, GGA, METAGGA

Examples that use this tag

References

  1. ↑ J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77, 3865 (1996).


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