DFTD4_XC
DFTD4_XC = [string]
Default: DFTD4_XC = The functional set by the GGA, METAGGA or XC tag.
Description: DFTD4_XC sets the exchange-correlation functional which determines the van der Waals parameters used in the DFT-D4 method implemented in the DFT-D4 package.
DFTD4_XC allows to choose the exchange-correlation functional that determines which set of van der Waals parameters is used in the DFT-D4 method implemented in the DFT-D4 package (IVDW=13).
The possible choices (e.g., DFTD4_XC=pbe, hse06, ...) are listed in the file param.f90 of the DFT-D4 source code.
| Mind: The DFTD4_XC tag is available from VASP.6.6.0 onwards |
Related tags and articles
IVDW, GGA, METAGGA, XC, DFT-D4