The CP2K project : input section COUPLING

Section COUPLING

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MIXED%COUPLING.

Coupling between two force_eval: E=(E1+E2 - sqrt((E1-E2)**2+4*H12**2))/2. This section can not be repeated and can not be optional.

Subsections

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Section keywords

Keyword descriptions

COUPLING_PARAMETER
COUPLING_PARAMETER
Coupling parameter H12 used in the coupling
This required keyword expects a real


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