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.
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