The CP2K project : input section BFGS

Section BFGS

Index of all sections. This section is located at __ROOT__%MOTION%CELL_OPT%BFGS.

Provides parameters to tune the BFGS optimization. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

RESTART_HESSIAN
RESTART_HESSIAN
Controls the reading of the initial Hessian from file.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
RESTART_FILE_NAME
RESTART_FILE_NAME {filename}
Specifies the name of the file used to read the initial Hessian.
This optional keyword expects a string. Default value:


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