[Pw_forum] unknown mode symmetry in phonon calculation

Khalid Ibne Masood Khalid kimu206 at gmail.com
Sun Aug 16 12:24:54 CEST 2015


Dear Researchers,
I am trying to calculate phonon dispersion of my material, but when I run
ph.x, it gives the following error:

Error in routine find_mode_sym (1):
     unknown mode symmetry

The crystal was fully relaxed and there was no problem in the system.

Would you please suggest me what can I do regarding this problem.

Thank you.
Khalid
M. Sc student
BUET
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150816/f001484c/attachment.html>


More information about the users mailing list