[Pw_forum] Error in routine d_matrix_so

[Surykant Mishra]

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.jzs at 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 at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150709/44ab8b07/attachment.html>