Section HYB_GGA_XC_HSE12

• HSE12

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / HYB_GGA_XC_HSE12

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _BETA
  • _OMEGA_HF
  • _OMEGA_PBE

• Keyword descriptions

  SECTION_PARAMETERS
  	&HYB_GGA_XC_HSE12 {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

  _BETA
  	_BETA {Real}
  	Mixing parameter
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 3.13000000E-001

  _OMEGA_HF
  	_OMEGA_HF {Real}
  	Screening parameter for HF
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.78977840E-002

  _OMEGA_PBE
  	_OMEGA_PBE {Real}
  	Screening parameter for PBE
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 9.78977840E-002