Section GGA_X_PW86

• Perdew & Wang 86  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / ENERGY_CORRECTION / XC / XC_FUNCTIONAL / GGA_X_PW86

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _AA
  • _BB
  • _CC

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_PW86 {Logical}
  	Activates the functional.  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  SCALE
  	SCALE {Real}
  	Scales this functional  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _AA
  	_AA {Real}
  	Coefficient of s^2 term  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.29600000E+000

  _BB
  	_BB {Real}
  	Coefficient of s^4 term  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.40000000E+001

  _CC
  	_CC {Real}
  	Coefficient of s^6 term  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E-001