Section GGA_X_B86

• Becke 86

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / GGA_X_B86

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _BETA
  • _GAMMA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_B86 {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.

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

  _BETA
  	_BETA {Real}
  	Small x limit
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.86878069E-003

  _GAMMA
  	_GAMMA {Real}
  	Parameter in the denominator
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.00000000E-003

  _OMEGA
  	_OMEGA {Real}
  	Exponent of denominator
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000