[Q-e-developers] Error in Phonon Code_Spin orbit coupling calculation

[Paolo Giannozzi]

Is anybody interested in maintaining the spin-orbit case for phonon?

Paolo


On Fri, Jun 24, 2016 at 5:43 AM, Manoj Kumar Sharma <manojphy at gmail.com> wrote:
> Dear QE developers,
>
> During my Phonon dispersion calculations for spin-orbit case (using
> espresso-5.4.0) I found following error in the q2r.x output file:  "fle
> abc.dyn0.xml not found". However I already had run same calculations using
> 5.1.2 version and there was no problem. Then I go through the literature and
> found that in the q2r.f90 file of Phonon code (5.4.0 version) there is an
> error in line 137. It searches for "dyn0.xml" file but ph.x generate only
> "dyn0" file in any case. Kindly correct the error.
>
>
> With sincere regards,
>
> Dr. Manoj Kumar Sharma
> Postdoctoral Fellow
> Materials Physics Research Team
> Pohang Accelerator Laboratory
> Pohang, Korea
>
> _______________________________________________
> Q-e-developers mailing list
> Q-e-developers at qe-forge.org
> http://qe-forge.org/mailman/listinfo/q-e-developers
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222