Section HYB_GGA_X_CAM_S12G

• Swart 2012 range-separated hybrid GGA exchange  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / XC_FUNCTIONAL / HYB_GGA_X_CAM_S12G

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _ALPHA
  • _B
  • _BETA
  • _C
  • _D
  • _E
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_X_CAM_S12G {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

  _A
  	_A {Real}
  	A parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.03323556E+000

  _ALPHA
  	_ALPHA {Real}
  	fraction of HF exchange  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.44850460E-001

  _B
  	_B {Real}
  	B parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.23764440E-001

  _BETA
  	_BETA {Real}
  	fraction of SR exchange  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -3.44850460E-001

  _C
  	_C {Real}
  	C parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 4.17251000E-003

  _D
  	_D {Real}
  	D parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.15216000E-003

  _E
  	_E {Real}
  	E parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.06184000E-003

  _OMEGA
  	_OMEGA {Real}
  	range-separation parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.52420731E+000