Section GGA_X_ITYH_OPTX

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

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • SCALE
  • _A
  • _B
  • _GAMMA
  • _OMEGA

• Keyword descriptions

  SECTION_PARAMETERS
  	&GGA_X_ITYH_OPTX {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

  _A
  	_A {Real}
  	a  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.05151000E+000

  _B
  	_B {Real}
  	b  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.53858184E+000

  _GAMMA
  	_GAMMA {Real}
  	gamma  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.00000000E-003

  _OMEGA
  	_OMEGA {Real}
  	omega  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E-001