[QE-users] error with Xspectra in version 6.2
ricardo at df.ufscar.br
Wed May 23 20:12:41 CEST 2018
That seems to me you should keep the same file path to your data you kept
on the other machine.
I guess that Xspectra uses.xml files generated by your file after
campilation. So it will look up for files in that directory for whatever
you are trying to do.
I hope that gave you some minor help, but it is not entirely clear to me
what you are trying to do.
On Wed, 23 May 2018 04:56 Juliana Silva, <julianacmsilvaq at gmail.com> wrote:
> Hello, everybody!
> I'm having trouble with Xspectra in the 6.2.1 version of QE. It always
> fails with this message:
> ERROR reading the core wavefunction file
> If I run the same calculation with the same core wave function file in
> another machine with te version 6.1, I don't get this error.
> Do you know if it could be a bug or a problem with my compilation?
> Thank you!
> Juliana Silva
> users mailing list
> users at lists.quantum-espresso.org
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