The CP2K project : input section STRING_METHOD

Section STRING_METHOD

Index of all sections. This section is located at __ROOT__%MOTION%BAND%STRING_METHOD.

Controls parameters for String Method type calculation only. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

SPLINE_ORDER
Specify the oder of the spline used in the String Method.
This optional keyword expects an integer. Default value: 1
SMOOTHING
Smoothing parameter for the reparametrization of the frames.
This optional keyword expects a real. Default value: 2.0000000000000001E-01


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