[Pw_forum] Error in routine d_matrix_so

[Rajdeep Banerjee]

Dear all,
            I tried to run pdos calculation in my system with spin-orbit
coupling, in espresso-5.1.1, 5.1.2 and 5.2.0 but got the same error, i.e.

Calling projwave_nc ....

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine d_matrix_so (5):
     D_S (j=1/2) for this symmetry operation is not unitary
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ..

If anyone has any idea how to resolve the issue, please share. I have
attached the input files so that one can reproduce the error.

thanks and regards,

-- 
Rajdeep Banerjee
PhD student
JNCASR, Bangalore
India
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