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
------
Sai Ramadugu
Post-Doctoral Scholar,
University of Iowa
On Sun, Jul 27, 2014 at 2:35 AM, Goranka Bilalbegovic <
[email protected]> wrote:
>
> Hello,
>
> Examples of XSpectra in espresso-5.1 stop when xspectra.x is called after
> the scf job. The error message is:
> ---
> from pw_readfile : error # 1
> error opening xml data file
> ---
>
> There is no 'read_file_xspectra.f90' in 5.1. XSpectra examples work in
> 5.0.2.
>
> Best regards,
> Goranka
>
> --
> Goranka Bilalbegovic
> Department of Physics, Faculty of Science,
> University of Zagreb, Croatia
>
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>
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