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Re^5: Hessian Calculations

Pedro Silva
pedros@ufp.pt


>On a related note, as Hessian jobs are rather long in general, is there any way to resume a Hessian job if it should be interrupted for any reason?  

You should take the $VIB group from the file IRCDATA (produced at the same time as the PUNCH file,) add a $END to it, paste it into your input file, and you are ready to restart it..

Pedro


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