The CP2K project : input section VDW_POTENTIAL

Section VDW_POTENTIAL

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%TDDFPT%XC%VDW_POTENTIAL.

This section combines all possible additional dispersion corrections to the normal XC functionals. This can be more functionals or simple empirical pair potentials. This section can not be repeated and can be optional.

This section cites following reference: [Grimme2006]

Subsections

Section keywords

Keyword descriptions

POTENTIAL_TYPE
POTENTIAL_TYPE PAIR_POTENTIAL
Type of dispersion/vdW functional or potential to use
This optional keyword expects a keyword. Default value: NONE
valid keywords: NONE, PAIR_POTENTIAL
variants: DISPERSION_FUNCTIONAL


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