Section 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.

• Section path: CP2K_INPUT / ATOM / METHOD / XC / VDW_POTENTIAL

• This section cannot be repeated.

• This section cites the following references: [Grimme2006] [Tran2013]

• Subsections

  • NON_LOCAL
  • PAIR_POTENTIAL

• Keywords

  • POTENTIAL_TYPE

• Keyword descriptions

  POTENTIAL_TYPE
  	POTENTIAL_TYPE {Keyword}
  	Type of dispersion/vdW functional or potential to use
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NONE
  	List of valid keywords: NONE No dispersion/van der Waals functional NON_LOCAL Nonlocal van der Waals density functional PAIR_POTENTIAL Pair potential van der Waals density functional
  	Alias names for this keyword: DISPERSION_FUNCTIONAL