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Tips for (TS) optimization
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== Useful Keywords== You will have notice that this is the hardest. Some keywords that helped me: maxstep=X to see where the algorithm "lost" the TS, and restart with calcfc. Very slow method. Alternatively, ask me (cgoehry@iciq.es) my script to see in molden which atoms are concerned by the Eigenvalue-following TS search vshift=X in case the optimization goes up and down very quickly (with metal atoms).
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