Section GGA_X_ITYH_PBE

• Short-range recipe for PBE functional  [Edit on GitHub]

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _KAPPA
  • _MU
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_ITYH_PBE {Logical}
  	Activates the functional.  [Edit on GitHub]
  	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  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  _KAPPA
  	_KAPPA {Real}
  	Asymptotic value of the enhancement function  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.04000000E-001

  _MU
  	_MU {Real}
  	Coefficient of the 2nd order expansion  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.19514973E-001

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