SDFTD3_XC

SDFTD3_XC = [string]
Default: SDFTD3_XC = The functional set by the GGA, METAGGA or XC tag.

Description: SDFTD3_XC sets the exchange-correlation functional which determines the van der Waals parameters used in the DFT-D3 method implemented in the simple-DFT-D3 package.

SDFTD3_XC allows to choose the exchange-correlation functional that determines which set of van der Waals parameters is used in the DFT-D3 method implemented in the simple-DFT-D3 package (IVDW=15).

The possible choices (e.g., SDFTD3_XC=pbe, hse06, ...) depend on the damping function selected with the SDFTD3_DAMPING tag and are listed in the file param.f90 of the simple-DFT-D3 source code.

Mind:

The SDFTD3_XC tag is available from VASP.6.6.0 onwards.
The SDFTD3_XC tag can be used only for the simple DFT-D3 package (IVDW=15).

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