[Pw_forum] Problem with plotbands.x and orbital weights

Rojas Solorzano, Tomas tr074112 at ohio.edu
Thu Jan 19 19:22:38 CET 2017


Dear QE community,


I am attempting to calculate band structures of CrN including the orbital weights. I am using a unit cell of 64 atoms.

I performed SCF and NSCF calculation, as well as the bands.x and the projwfc.x.

But when I run the plotbands.x, the code detects the .proj file and ask me for wavefunction numbers I want, however, the output does not include a third column with the orbital weights, it only prints 2 columns.

I do not have this problem when I run the same system but with a 8 atom unit cell.


Regards


Tomas R

Ohio University
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