DAMPING

Section can be repeated.

This section specifies optional electric field damping for the polarizable atoms. [Edit on GitHub]

Keywords

• ATOM

• BIJ

• CIJ

• ORDER

• TYPE

Keyword descriptions

ATOM: string

Usage: ATOM {KIND1}

Defines the atomic kind for this damping function. [Edit on GitHub]

BIJ: real = [angstrom^-1]

Usage: BIJ {real}

Defines the BIJ parameter for this damping. [Edit on GitHub]

CIJ: real

Usage: CIJ {real}

Defines the CIJ parameter for this damping. [Edit on GitHub]

ORDER: integer = 3

Usage: ORDER {integer}

Defines the order for this damping. [Edit on GitHub]

TYPE: string = TANG-TOENNIES

Usage: TYPE {string}

Defines the damping type. [Edit on GitHub]