ANDREUSSI

References: Andreussi2012

Define the parameters of the dielectric smoothing function proposed by Andreussi et al. [Edit on GitHub]

Keywords

RHO_MAX

Type: real
Default: 3.50000000E-003
Usage: RHO_MAX 0.01

Description: Maximum density value used for the smoothing of the dielectric function

RHO_MIN

Type: real
Default: 1.00000000E-004
Usage: RHO_MIN 0.0003

Description: Minimum density value used for the smoothing of the dielectric function