[Pw_forum] Regarding error while running el-ph coupling with PAW potentials
pachineela rambabu
rams.hcu at gmail.com
Fri Jan 26 05:21:40 CET 2018
Dear PW Forum,
I am running a el-ph coupling calculation with PAW
potentials. After few q-points calculations, I am getting the following
error. Please help me out how to get rid of this error.
*%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine d_matrix (2): D_S (l=2) for this symmetry operation is
not
orthogonal %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...*
Looking forward to your positive reply.
thanks,
--
*P. Rambabu*
PhD Scholor
Physics, IIT Hyderabad
Mobile: 9074508220.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180126/b0d8a113/attachment.html>
More information about the users
mailing list