Section HYB_MGGA_XC_B94_HYB

• Becke 1994 hybrid meta-GGA  [Edit on GitHub]

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / HYB_MGGA_XC_B94_HYB

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _CAB
  • _CSS
  • _CX
  • _GAMMA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_MGGA_XC_B94_HYB {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

  _CAB
  	_CAB {Real}
  	cab  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.60000000E-001

  _CSS
  	_CSS {Real}
  	css  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.80000000E-001

  _CX
  	_CX {Real}
  	cx  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.54000000E-001

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