| 8:37:58 AM PDT - Thu, Apr 18th 2013 |
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| I am optimizing transition states in NWChem under solvated conditions, and the optimization results in multiple negative frequencies, indicating that the lowest energy transition state was not necessarily found. I know in GAussian there's a keyword "noeigen", or something like that, which finds the largest negative frequency of all the negative frequencies, and keeps optimizing the transition state geometry until the largest negative frequency is the only negative frequency calculated. Is there some similar aspect and key word that can be used in NWChem?
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