Hello, I got geometry optimization crash after 17 geometry steps, crash happened inside the SCF step. QE manual says that restart is possible only after a clean stop, what is not my case.
I have the last geometry preserved in the output file, which I can copy&paste into a new input file. But there a way to preserve all the geometry optimization steps ? The remaining working files are: [email protected]:/lustre/ukt/milias/scratch/QEjob.long.N4.n240.jid66144685/.ls qe.bfgs qe.save/ qe.update [email protected]:/lustre/ukt/milias/scratch/QEjob.long.N4.n240.jid66144685/.ls qe.save/ charge-density.dat data-file-schema.xml Could these files be used for a nice geometry optimization restart, please ? I am running PWSCF v.7.1. Best, Miro
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