[Pw_forum] xspectra examples in 5.1

Goranka Bilalbegovic gbilalbegovic at gmail.com
Fri Dec 12 21:14:29 CET 2014


Hello Sai,

It was an interesting solution: I repeated the same job after several days
on the same cluster, and then everything was OK also in QE 5.1.

Best regards,

-- 
Goranka Bilalbegovic
Department of Physics, Faculty of Science,
University of Zagreb, Croatia

On Fri, Dec 12, 2014 at 8:06 PM, Sai Kumar Ramadugu <sramadugu at gmail.com>
wrote:
>
> Hi,
>
> I have been facing the same problem.
>
> I tried to run the SCF calculation for the C diamond example that the
> XSpectra examples folder contains.
> The SCF finishes successfully. But when I try to run XSpectra, it
> complains the same saying
> "Error in routine pw_readfile (1):
>      error opening xml data file"
>
> Is there a solution for this problem?
>
> Thanks,
> Sai Ramadugu
>
>
>
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