Section FATTEBERT-GYGI

• Define the parameters of the dielectric smoothing function proposed by Fattebert and Gygi

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / SCCS / FATTEBERT-GYGI

• This section cannot be repeated.

• This section cites the following reference: [Fattebert2002]

• Subsections

  • none

• Keywords

  • BETA
  • RHO_ZERO

• Keyword descriptions

  BETA
  	BETA {Real}
  	Parameter β changes the width of the interface solute-solvent
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.70000000E+00

  RHO_ZERO
  	RHO_ZERO {Real}
  	Parameter ρ0 defines the critical density in the middle of the interface solute-solvent
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 6.00000000E-04
  	Alias names for this keyword: RHO0