[Wien] Restoring SCF

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Jan 24 16:58:57 CET 2007


As long as it is running, the error files contain one line with "Error 
....". So that's ok.

Once the step has finished, the error file must be empty.

Gerardo Felix Martinez schrieb:
> Thanks a lot for your response¡¡¡¡ I appreciate it¡¡¡
> 
> I've done what you told me (restore the case, then edit case.in1c, and 
> start SCF again), and in the first iteration an "error in LAPW1" has 
> been reported in lapw1.error file but it is still running. Is this ok? 
> Thank you.
> 

                                       P.Blaha
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