[QE-users] band_calculation_error

[Manu Hegde]

Hello All,
I was trying to calculate band structure for wurtzite-ZnO (zinc oxide) with
72 atoms supercell using PBE norm-conserving pseudopoteial. Both scf and
nscf calculations were finished without any error. But while running
bands.x  I am getting following error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine punch_band (31):
      increase maxdeg
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

I am using QE-5.4.0, first time I am getting this error, not sure what is
happening. I have attached input files, please have a look.

Thanks and Regards,
Manu
(Simon Fraser University, Canada)
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