[Pw_forum] about the path length in NEB calculations

Cyrille Barreteau cyrille.barreteau at cea.fr
Thu Mar 26 08:39:22 CET 2009


>the ends are fixed, the length is not. Typically one starts a NEB
>calculation with a straight line (in configuration space) and ends
>with a curved line. Guess which one is shorter?
>
>  
>
It depends on the curvature of our space:-) Euclidian or not Euclidian 
that is the question:-)

  cyrille

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