Section BECKE88_LR_ADIABATIC

• Uses the Becke 88 longrange exchange functional in an adiabatic fashion

• Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / BECKE88_LR_ADIABATIC

• This section cannot be repeated.

• This section cites the following reference: [BECKE1988]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • LAMBDA
  • OMEGA
  • SCALE_X

• Keyword descriptions

  SECTION_PARAMETERS
  	&BECKE88_LR_ADIABATIC {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.

  LAMBDA
  	LAMBDA {Real}
  	Defines the parameter of the adiabatic curve
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  OMEGA
  	OMEGA {Real}
  	Potential parameter in erf(omega*r)/r
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  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