[QE-users] Understanding the displacement vector given in pattern.xml files produced by ph.x

Bushra Ashraf Bushra.Ashraf at ucf.edu
Wed Jul 24 18:09:26 CEST 2024


Hi
I am trying to plot phonon band dispersion displacement vectors associated to each atom in my system. I have done ph.x part of calculation and I have pattern.xx.xml files for each q-point. I am trying to understand the file format so that I can visualize the directions of displacement vector for each atom. Can someone guide me how to do this analysis?
Thanks
Bushra
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240724/68430c70/attachment.html>


More information about the users mailing list