Section HYB_GGA_XC_RCAM_B3LYP

• Similar to CAM-B3LYP, but trying to reduce the many-electron self-interaction

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / HYB_GGA_XC_RCAM_B3LYP

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _AB88
  • _ALPHA
  • _BETA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_XC_RCAM_B3LYP {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

  _AB88
  	_AB88 {Real}
  	Fraction of B88 exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.52380000E-001

  _ALPHA
  	_ALPHA {Real}
  	Fraction of Hartree-Fock exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.13331000E+000

  _BETA
  	_BETA {Real}
  	Fraction of short-range exact exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: -9.49790000E-001

  _OMEGA
  	_OMEGA {Real}
  	Range separation parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.30000000E-001