The CP2K project : input section CONVERGENCE_CONTROL

Section CONVERGENCE_CONTROL

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

Setup parameters to control the convergence criteria for BAND. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

MAX_DR
MAX_DR {real}
Tolerance on the maximum value of the displacement on the BAND.
This optional keyword expects a real. Default value: 2.0000000000000001E-04
MAX_FORCE
MAX_FORCE {real}
Tolerance on the maximum value of Forces on the BAND.
This optional keyword expects a real. Default value: 4.4999999999999999E-04
RMS_DR
RMS_DR {real}
Tolerance on RMS displacements on the BAND.
This optional keyword expects a real. Default value: 1.0000000000000000E-04
RMS_FORCE
RMS_FORCE {real}
Tolerance on RMS Forces on the BAND.
This optional keyword expects a real. Default value: 2.9999999999999997E-04


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