DFTD4 XC: Difference between revisions
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{{TAG|METAGGA}}, | {{TAG|METAGGA}}, | ||
{{TAG|XC}}, | {{TAG|XC}}, | ||
{{TAG|SDFTD3_XC}}, | |||
[[DFT-D4]] | [[DFT-D4]] | ||
Latest revision as of 13:40, 4 March 2026
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, SDFTD3_XC, DFT-D4