I am running a TS computation in Gaussian 16. It performs several steps.
At the end of each there is a summary on whether
Maximum Displacement and
RMS Displacement have converged. The thing is that in several of my computations the second-last step reports all 4 converged and in the last step always one or two are not longer converged.
Why is that? Does that mean I can take the second last step parameters and use them?
Thank you in advance.