Section GGA_X_OPTB86B_VDW

• Becke 86 reoptimized for use with vdW functional of Dion et al

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / GGA_X_OPTB86B_VDW

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _BETA
  • _GAMMA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_OPTB86B_VDW {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: 2.03151949E-003

  _GAMMA
  	_GAMMA {Real}
  	Parameter in the denominator
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.03151949E-003

  _OMEGA
  	_OMEGA {Real}
  	Exponent of denominator
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00000000E-001