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Hello,</div>
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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.</div>
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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 ?</div>
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The remaining working files are:</div>
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milias@lxbk0598.gsi.de:/lustre/ukt/milias/scratch/QEjob.long.N4.n240.jid66144685/.ls
<div>qe.bfgs qe.save/ qe.update</div>
<div>milias@lxbk0598.gsi.de:/lustre/ukt/milias/scratch/QEjob.long.N4.n240.jid66144685/.ls qe.save/
<div>charge-density.dat data-file-schema.xml</div>
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<div>Could these files be used for a nice geometry optimization restart, please ? I am running PWSCF v.7.1.</div>
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<div>Best, Miro</div>
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