Section OPTX

• Uses the OPTX functional

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

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • A1
  • A2
  • GAMMA
  • SCALE_X

• Keyword descriptions

  SECTION_PARAMETERS
  	&OPTX {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.

  A1
  	A1 {Real}
  	OPTX a1 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.05151000E+000

  A2
  	A2 {Real}
  	OPTX a2 coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.43169000E+000

  GAMMA
  	GAMMA {Real}
  	OPTX gamma coefficient
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.00000000E-003

  SCALE_X
  	SCALE_X {Real}
  	scales the exchange part of the functional
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000