The CP2K project : input section DIPOLE
Section
DIPOLE
Index of all sections
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FORCE_EVAL
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MM
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FORCEFIELD
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DIPOLE
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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
ATOM
ALPHA
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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