[Pw_forum] Irreducible Representation for a list of q-points

Vahid Askarpour vh261281 at dal.ca
Thu Mar 2 00:00:10 CET 2017


Dear QE Users,

When using the ph.x code, the output shows the label for the irreducible representation for each mode, such as T_1g or T_1u as done in the divide_class.f90 routine of the PW/src. When putting a list of say 2000 q-points into matdyn.x, I can get the eigenvectors for each mode.

Is there a tag or a post-processing tool which allows the determination of the irreducible representation label for the modes associated with each of those 2000 q-points? If not, is it possible to extract the table for irreducible representation for all the modes of a list of q-points in QE?



Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University,
Halifax, NS, Canada
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