Dear Giuseppe,
The ethylene rotation example you mentioned is very interesting. I wonder if
there is a reference you recommend that carefully analyzed this case with DFT
or other quantum chemical approaches.
Best Regards,
Mostafa
MIT
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Dear Victor
I see two levels at which your question can be answered.
At a technical level, the pw.x code (the "engine" of neb.x) starts from scratch
the scf cycle of every image. If all your images converge the first scf
iteration to a non-magnetic state then a) they will propagate the
