A few of my TS and ground state optimizations were not completed in the requested time. So I had to restart the jobs. I just put "# restart" in the line0 and nothing else. The optimizations restarted and then converged. The thing is that I just saw on the Gaussian web site that we are suppose to put the opt keyword with the restart option, and specify the TS option when its the case.

Ex:

# opt=(restart) or #opt=(TS, calcFC, restart)

Do you think my optimization were fine, even if I didn't construct my input like that?

More Mathieu Morency's questions See All
Similar questions and discussions