Section GGA_X_SSB_SW

• Swart, Sola and Bickelhaupt correction to PBE

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

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

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_SSB_SW {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: 1.05150000E+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: 1.91458000E-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: 2.54443000E-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: 1.80708000E-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: 4.03667400E+000