[Pw_forum] Phonon Calculations Error

Mofrad, Amir Mehdi (MU-Student) amzf5 at mail.missouri.edu
Tue Jul 11 19:37:01 CEST 2017


Dear all QE users and developers,


I've been trying to run a phonon calculation on a zeolite which consists of 72 atoms and I get the following error which I have no clue what to do for. Any help would be appreciated.


task #        99
     from set_irr_sym_new : error #      5622
     wrong representation

P.S. If you need any input files or have other questions, please let me know.


Best,


Amir M. Mofrad

University of Missouri
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170711/98f87790/attachment.html>


More information about the users mailing list