Section HYB_GGA_XC_CAM_O3LYP

• CAM-O3LYP

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / HYB_GGA_XC_CAM_O3LYP

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _B
  • _C
  • _CLR
  • _CLYP
  • _CSR
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_XC_CAM_O3LYP {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

  _B
  	_B {Real}
  	fraction of LDA exchage
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.26200000E-001

  _C
  	_C {Real}
  	fraction of OPTX gradient correction
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.13300000E-001

  _CLR
  	_CLR {Real}
  	fraction of long-range HF exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00000000E-001

  _CLYP
  	_CLYP {Real}
  	fraction of LYP correlation
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.10000000E-001

  _CSR
  	_CSR {Real}
  	fraction of short-range HF exchange
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.16100000E-001

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