[DFTB-Plus-User] Optimising Transition State

Amritpal ghumman amritpalghumman at gmail.com
Tue Aug 13 14:00:16 CEST 2024


Hello

I want to optimize a transition state structure in DFTB+ with method other
than NEB. I just want to give a guess input structure for Transition State
. Is it possible?

With Best Regards
Amritpal Singh
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