Non-equidistant images in NEB

Łukasz Walewski l... at
Tue Oct 22 13:32:00 UTC 2013


Among many flavors of the NEB method there is one that uses variable
distance between neighboring images, e.g. to represent the neighborhood
of the transition state with higher resolution while saving the effort
in the flat regions of the PES. Is this type of BAND calculation
implemented in CP2K?


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