[Wien] Re: crashing during the optimizing structure

[Stefaan Cottenier]

> while I am optimizing the structure, for example, calculating the energy
> versus the volume, here the volume with five value 1, 2, 3,4,5, and  if
> the calculation crashes while SCF is runing at volume equal to 2, how can
> I do if I want the calculation to go on from where it stops.

Open optimize.job, and delete in the "foreach" part the *.struct-names that 
have been calculated already.

Stefaan