[Wien] Stop and restart

leithron@gmail.com leithron at gmail.com
Thu Apr 17 10:15:46 CEST 2014


Dear users:
     I am doing an optimization with -5 -2 0 2 5 volume change. Now I have finished -5 -2 calculation and the 0 calculation have run 5 cycles, but the electric power will be cut in a few hours so I have to stop it by .stop. My question is can we continue with the scf from where it stoped(the fifth iteration of 0 volume change calculation)  later or do we have to remove the files case.broyd and rerun the optimization of 0 2 5 volume change from beginning again.



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