Dear Quantum ESPRESSO Community, I am encountering an issue with NEB (Nudged Elastic Band) calculations. In some cases, I am getting *zero activation energy* either for the forward reaction or the backward reaction. Could anyone please clarify what this means? Does this indicate a problem with my input files or calculation setup?
I am following the same input structure that worked well in other cases, where I was able to obtain reasonable activation energies. However, in these particular cases, I consistently get zero barriers. Any insights or suggestions would be greatly appreciated. Thank you in advance for your help! Best regards, Aswathy Jayaprakash Research Scholar CUSAT
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