The CP2K project : input section HARRIS

Section HARRIS

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%QS%HARRIS.

This section specifies the flags for the calculation of the harris functional. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

ACTIVATE
ACTIVATE TRUE
Activates the harris functional.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
HARRIS_ENERGY
HARRIS_ENERGY TRUE
Overrides the QS Energy.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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