Section HYB_GGA_X_S12H

• Swart 2012 hybrid exchange  [Edit on GitHub]

• Section path: CP2K_INPUT / FORCE_EVAL / PROPERTIES / TDDFPT / XC / XC_FUNCTIONAL / HYB_GGA_X_S12H

• This section cannot be repeated.

• Subsections

  • none

• Keywords

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

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_X_S12H {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: 1.02543951E+000

  _ALPHA
  	_ALPHA {Real}
  	Fraction of exact exchange  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.50000000E-001

  _B
  	_B {Real}
  	B parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.31560490E-001

  _C
  	_C {Real}
  	C parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 7.61554000E-003

  _D
  	_D {Real}
  	D parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.11063000E-003

  _E
  	_E {Real}
  	E parameter  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.04672000E-003