The CP2K project : input section EPR

Section EPR

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%PROPERTIES%LINRES%EPR.

The g tensor is calculated by DFPT. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
&EPR T
controls the activation of the epr calculation
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
RESTART_EPR
RESTART_EPR
Restart the EPR calculation from a previous run (NOT WORKING)
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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