FATTEBERT-GYGI

References: Fattebert2002

Define the parameters of the dielectric smoothing function proposed by Fattebert and Gygi [Edit on GitHub]

Keywords

• BETA

• RHO_ZERO

Keyword descriptions

BETA

Type: real
Default: 1.70000000E+000
Usage: BETA 1.3

Description: Parameter β changes the width of the interface solute-solvent

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RHO_ZERO

Type: real
Default: 6.00000000E-004
Aliases: RHO0
Usage: RHO_ZERO 0.0004

Description: Parameter \(\rho_0\) defines the critical density in the middle of the interface solute-solvent

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