[Wien] How to continue SCF after the process is killed?

[Peter Blaha]

> Yes, run_lapw -ec 0.0001 -i 50 -s lapw1 & should work (no save_lapw),
> although a killing in lapw1 might sometimes cause that the restarts
> always hang in lapw1. Should that happen, do the following: copy the

In sequential calculations it should not hang (maybe rm *.error, if you use
an older WIEN version), however, in parallel some ".lock*" files may cause
a "hang":      rm  .lock*     before running   run_lapw -p


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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