[Pw_forum] xspectra examples in 5.1
Sai Kumar Ramadugu
sramadugu at gmail.com
Fri Dec 12 20:06:57 CET 2014
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?
University of Iowa
On Sun, Jul 27, 2014 at 2:35 AM, Goranka Bilalbegovic <
gbilalbegovic at gmail.com> wrote:
> 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
> Best regards,
> Goranka Bilalbegovic
> Department of Physics, Faculty of Science,
> University of Zagreb, Croatia
> Pw_forum mailing list
> Pw_forum at pwscf.org
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