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If the pw.x routine is stopped (due to e.g. wall-time limit) when computing forces and/or stress, while the scf is converged, the PwBaseWorkChain stops and doesn't restart.
I would suggest to implement a handler that possibly can restart with e.g. electron_maxstep = 0 and scf_must_converge = False in order to compute forces and stress, if they were to be computed from the input (or something similar).
The text was updated successfully, but these errors were encountered:
If the
pw.x
routine is stopped (due to e.g. wall-time limit) when computing forces and/or stress, while the scf is converged, thePwBaseWorkChain
stops and doesn't restart.I would suggest to implement a handler that possibly can restart with e.g.
electron_maxstep = 0
andscf_must_converge = False
in order to compute forces and stress, if they were to be computed from the input (or something similar).The text was updated successfully, but these errors were encountered: