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

Type: string
Usage: ATOM {KIND1}

Description: Defines the atomic kind of the SCF quadrupole.

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CPOL

Type: real
Default: [internal_cp2k]
Usage: CPOL {real}

Description: Defines the isotropic polarizability of the MM atom.

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