DFTD4_XC

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Revision as of 11:02, 2 March 2026 by Ftran (talk | contribs) (Created page with "{{DISPLAYTITLE:DFTD4_XC}} {{TAGDEF|DFTD4_XC|[string]|The functional set by the {{TAG|GGA}}, {{TAG|METAGGA}} or {{TAG|XC}} tag.}} Description: {{TAG|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. ---- {{TAG|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 imple...")
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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.
  • The DFTD4_XC tag can be used only for the DFT-D4 package (IVDW=13).

Related tags and articles

IVDW, GGA, METAGGA, XC, DFT-D4

Examples that use this tag

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