[Pw_forum] Intermediate images in NEB
Daniele.Passerone at empa.ch
Mon Oct 1 15:07:50 CEST 2007
> This is not a bug !
Thanks a lot for your clarification (I refer to 3.2.2 version of the
I inspected the code and you are completely right.
However, there are case when it would be desirable to use EXACTLY that
initial guess, for example in case of interpolation
through intermediate values of a torsional angle...
That's the origin of my concern. Maybe it would not be a bad idea to
add this option...
Thanks for your help
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