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6:56 PM
posted on January 09, 2022 by HatesStairs

Good afternoon everyone, I’m working on a nudged elastic band project. Our team previously used MEP tools to plot the pathway. We could set our boundaries and Import energies from a .txt file. Unfortunately, the author is no longer maintaining the project and referred us to ASE. From my reading, I’m unable to resolve if ASE-NEB supports our needs. I’ve attached a copy of the pytho

 

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