Comparison of CI-NEB and Dimer Methods for Transition State Localization

Vasp transition state theory tools

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nidhit
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Joined: Sat Nov 25, 2023 1:27 pm

Comparison of CI-NEB and Dimer Methods for Transition State Localization

Post by nidhit »

I'm curious about the effectiveness of two methods, CI-NEB and Dimer, in finding transition states. (i) Which one of the two is better? (ii) What criteria can be used to determine the accuracy of the transition state obtained through CI-NEB?
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