The CP2K project : input section DIPOLE

Section DIPOLE

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MM%FORCEFIELD%DIPOLE.

This section specifies that we will perform an SCF dipole calculation of the MM atoms. Needs KEYWORD POL_SCF in POISSON secton. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

ATOM
ATOM {KIND1}
Defines the atomic kind of the scf dipole.
This required keyword expects a word
ALPHA
ALPHA {real}
Defines the isotropic polarizability of the MM atom.
This required keyword expects a real. Default unit: [angstrom^3].


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