[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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