[DFTB-Plus-User] DFTB+ optimisation resume

Jay Johal J.Johal at soton.ac.uk
Wed Aug 25 13:46:10 CEST 2021


Hi all,

I was running some geometry optimisations on my universities HPC but I did not allocate enough time for them. Is there a way to resume from where they left off or do I just need to resubmit with more time? Is it just a case or re-submitting using the same settings but with the most recent geometry.out.gen file produced during the optimisation as the input geometry?

Thank You
Jay Johal
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