Section MGGA_C_BC95

• Becke correlation 95

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / MGGA_C_BC95

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _COPP
  • _CSS

• Keyword descriptions

  SECTION_PARAMETERS
  	&MGGA_C_BC95 {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

  _COPP
  	_COPP {Real}
  	Opposite spin
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.10000000E-003

  _CSS
  	_CSS {Real}
  	Parallel spin
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.80000000E-002