I want to setup a new calculation starting with my last geometry. It’s easy enough to input the last set of coordinates, but the density convergence still needs to be performed again. Is there a way to save this information as well, so that I can start at exactly where I left off previously?
It sounds like this is what you’re looking for?
So if I use:
This will write it once at the end of the run?
And then upon starting the next run:
Will start the calculation from that input wfn – yes?
Yes, that’s expected behavior.
If that doesn’t happen, let me know.