XC
XC = Combination of functionals
Description: XC specifies a LDA, GGA exchange-correlation functional.
This tag was added to perform GGA calculations with pseudopotentials generated with conventional LDA reference configurations.
| Important: VASP recalculates the exchange-correlation energy inside the PAW sphere and corrects the atomic energies given by the POTCAR file. For this to work, the original LEXCH tag must not be modified in the POTCAR file. |
Related tags and articles
LIBXC1, LIBXC2, ALDAX, ALDAC, AGGAX, AGGAC, GGA, METAGGA
References