Section GGA_X_SSB

• Swart, Sola and Bickelhaupt

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _B
  • _C
  • _D
  • _DELTA
  • _E
  • _F
  • _U

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_SSB {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

  _A
  	_A {Real}
  	A, Constant s limit
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.07176900E+000

  _B
  	_B {Real}
  	B in B s^2/(1 + C s^2)
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.37574000E-001

  _C
  	_C {Real}
  	C in B s^2/(1 + C s^2)
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.87883000E-001

  _D
  	_D {Real}
  	D in D s^2/(1 + E s^4)
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.37574000E-001

  _DELTA
  	_DELTA {Real}
  	delta, KT parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-001

  _E
  	_E {Real}
  	E in D s^2/(1 + E s^4)
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.63531500E+000

  _F
  	_F {Real}
  	F, prefactor for KT term
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.95010000E-001

  _U
  	_U {Real}
  	u, reweighting of KT and SSB terms
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -1.20564300E+000