Section VWN

• Uses the VWN functional

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / VWN

• This section cannot be repeated.

• This section cites the following reference: [VOSKO1980]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • FUNCTIONAL_TYPE
  • SCALE_C

• Keyword descriptions

  SECTION_PARAMETERS
  	&VWN {Logical}
  	activates the functional
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  FUNCTIONAL_TYPE
  	FUNCTIONAL_TYPE {Keyword}
  	Which version of the VWN functional should be used
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: VWN5
  	List of valid keywords: VWN3 This version is the default in Gaussian, but not recommended.Notice that it is also employed in Gaussian's default version of B3LYP VWN5 This is the recommended (correct) version of the VWN functional

  SCALE_C
  	SCALE_C {Real}
  	scales the correlation part of the functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000