[Pw_forum] projwfc.x error

Zhiting Tian zhiting at MIT.EDU
Thu Sep 29 05:04:55 CEST 2011


Dear all,

 I searched on forum but didn't see this error. I got the error message as following:
     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from d_matrix_so : error #        19
      D_S (j=1/2) for this symmetry operation is not unitary
     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

My in_pdos is:
      &inputpp
       prefix='PbSedos',
       outdir='/home/.../tmp'
       Emin=-10,Emax=15,DeltaE=0.1
     /
      
 Does anyone know how to solve it?

Thanks a lot. 
Zhiting Tian
Department of Mechanical Engineering
Massachusetts Institute of Technology
Cambridge, MA 02139


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