Section PZ81

• Uses the PZ functional.

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / PZ81

• This section can be repeated.

• This section cites the following references: [ORTIZ1994] [PERDEW1981]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • PARAMETRIZATION
  • SCALE_C

• Keyword descriptions

  SECTION_PARAMETERS
  	&PZ81 {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.

  PARAMETRIZATION
  	PARAMETRIZATION {Keyword}
  	Which one of parametrizations should be used
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: ORIGINAL
  	List of valid keywords: DMC Without description, yet. ORIGINAL Without description, yet. VMC Without description, yet.

  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