The CP2K project : input section RESCALE_FORCES

Section RESCALE_FORCES

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%RESCALE_FORCES.

Section controlling the rescaling of forces. Useful when starting from quite bad geometries with unphysically large forces. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

MAX_FORCE
Specify the Maximum Values of the force. If the force of one atom exceed this value it's rescaled to the MAX_FORCE value.
This optional keyword expects a real. Default unit: [bohr^-1hartree], default value: 4.2164878378225981E-02 bohr^-1hartree


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