QUADRUPOLE

Section can be repeated.

This section specifies that we will perform an SCF quadrupole calculation of the MM atoms. Needs KEYWORD POL_SCF in POISSON secton [Edit on GitHub]

Keywords

• ATOM

• CPOL

Keyword descriptions

ATOM: string

Usage: ATOM {KIND1}

Defines the atomic kind of the SCF quadrupole. [Edit on GitHub]

CPOL: real = [internal_cp2k]

Usage: CPOL {real}

Defines the isotropic polarizability of the MM atom. [Edit on GitHub]