Hi Rajdeep, can u help me for installation of "Quantum Espresso" Plz
Thanks & regards Suryakant Mishra Indian Institute of Technology Indore On Thu, Jul 9, 2015 at 9:27 AM, Rajdeep Banerjee <rajdeep....@gmail.com> wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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