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

[Andrea Dal Corso]

phonon with spin-orbit requires dynamical matrices in .xml format. You
need to call the dynamical matrix with the .xml extension.

Andrea

On Fri, 2016-06-24 at 12:43 +0900, Manoj Kumar Sharma 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 FellowMaterials Physics Research Team*
> 
> *Pohang Accelerator Laboratory*
> 
> *Pohang, Korea*
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Andrea Dal Corso                    Tel. 0039-040-3787428
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