[Pw_forum] Intermediate restart

Simone Marocchi simone.roz at gmail.com
Tue Jun 25 18:20:27 CEST 2013


Dear All,
		I have just one silly question about the functioning of the pwscf
software. 

1) Can I put the final wavefunctions of my calculation in a different
directory respect to the one of the input ? e.g. if I use wf_collect and
I reach the convergence for my calculation saving my data in
my_system.save , is it possible to start an other calculation
restarting my previous data and saving the output in my_system_2.save, or maybe
I have to cp the *.save dir and then restarting from that one, writing
the new path in the  prefix parameter of the input file ? 

Thanks for your help

Sincerely,
Simone Marocchi,
PhD student,
University of Modena and Reggio-Emilia





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