[CP2K:4704] Non-equidistant images in NEB

Teodoro Laino teodor... at gmail.com
Tue Oct 22 17:00:03 UTC 2013

no - the only method similar (but still equidistant) is the CI-NEB - for resolving better the TS.

On Oct 22, 2013, at 3:32 PM, Łukasz Walewski <l... at icm.edu.pl> wrote:

> Hi,
> 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?
> Thanks,
> Lukasz
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