Section MGGA_X_BJ06

• Becke & Johnson 06

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / ENERGY_CORRECTION / XC / XC_FUNCTIONAL / MGGA_X_BJ06

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • C
  • SCALE
  • _ALPHA

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_X_BJ06 {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.

  C
  	C {Real}
  	This parameter involves an average over the unit cell and must be calculated by the calling program.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  SCALE
  	SCALE {Real}
  	Scales this functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _ALPHA
  	_ALPHA {Real}
  	alpha = 0 for BJ06 and 1 for RPP
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000