Gibbs free energy modification after finishing NEB?

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Alford
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Joined: Sat Jun 19, 2021 2:15 pm

Gibbs free energy modification after finishing NEB?

Post by Alford »

I have finished the NEB calculation, but it seems all the energy I got is Internal energy instead of Gibbs free energy, so do I need to do Gibbs free energy modification? Is there any standard procedure for it?
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