[QE-users] help

Tue Sep 21 13:46:09 CEST 2021

Good afternoon, ladies and gentlemen!

Unfortunately, I cannot implement the continuation of the calculation in QE in the 'scf' mode after the end of the maximum specified time in the 'max_seconds' parameter. I am unable to apply the instructions for using the restart_mode = 'restart' parameter, which is provided on the corresponding page of the site https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm60.
I would like to see an example of the specific use of this parameter to ensure the continuation of the calculation.

Thank you in advance for your help.
All the best.
Victor Okulich

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