[QE-users] Symmetry Operations in Reciprocal Space

Ankit Sharma ankitub31 at gmail.com
Thu Mar 21 03:53:44 CET 2019


Hi,
This question might be trivial; I have a set of k points spanning the full
BZ and I want to reduce it to the IBZ. So for that, I used the point group
symmetry Operations to reduce the k points. But I am not able to match the
reduced number of k points that I calculate to the output from QE.
Any help would be appreciated.

Thank You,
Ankit Sharma
University at Buffalo
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190320/b8052a8b/attachment.html>


More information about the users mailing list