Is there any free / open source solution to search for the minimum energy path with the nudged elastic band method in combination with the Turbomole Package?

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    $\begingroup$ Welcome to SciComp.SE! As it is written now, your question lacks details and is therefore unlikely to receive answers except from a very small set of people who work with Turbomole and already know what you are talking about. If you want to increase your chances, you should edit your question to describe the problem you are working on and a brief description of the method (or link to one) you would like to use and why. This would allow a wider range of experts to help you, and maybe suggest how to write your own solution in case no software exists yet. $\endgroup$ Jun 20 '13 at 12:23
  • $\begingroup$ I cannot think of any details that are missing from this question. I do not use Turbomole nor NEB yet I knew exactly what information the poster was seeking and where to find the details via Google. $\endgroup$ Jul 23 '13 at 4:05

Yes. ASE (GPL) supports both Turbomole (https://wiki.fysik.dtu.dk/ase/ase/calculators/turbomole.html) and NEB (https://wiki.fysik.dtu.dk/ase/ase/neb.html).


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