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Re: Restart via irest=1 or 2, in the case of runtyp=rsurface, functions incorrectly

Alex Granovsky
gran@classic.chem.msu.su


Dear Evgeniy,

indeed, an automated restart of rsurface runs is not yet programmed.
You need to restart rsurface jobs manually.

All the best,
Alex Granovsky



On Wed Dec 14 '16 4:10pm, GrEv wrote
------------------------------------
>Hello,

>I wonder if restart via the irest=1 or 2 option is possible in the case of rsurface runs.
>I have been trying to restart a relaxed surface (runtyp=rsurface) calculation and encountered that after finishing a current value of the scanned coordinate the same value of the coordinate was taken again. It looks like the algorithm got stuck at the value from which the calculation restarted.

>Best regards,
>Evgeniy


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