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

Manoj Kumar Sharma manojphy at gmail.com
Fri Jun 24 05:43:56 CEST 2016


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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