Section KE_GGA

• Uses one of the KE_GGA functionals (optimized versions of some of these functionals might be available outside this section). These functionals are needed for the computation of the kinetic energy in the Kim-Gordon method.

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / KE_GGA

• This section can be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • FUNCTIONAL

• Keyword descriptions

  SECTION_PARAMETERS
  	&KE_GGA {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
  	FUNCTIONAL {Keyword}
  	Which one of the KE_GGA functionals should be used
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: OL1
  	List of valid keywords: LC Without description, yet. LLP Without description, yet. OL1 Without description, yet. OL2 Without description, yet. PBE Without description, yet. PW86 Without description, yet. PW91 Without description, yet. T92 Without description, yet.