Dear Paolo, I tried 9 9 9 1 1 1 and 9 9 9 0 0 0 but I still got the same error message. I moved back to QE-6.1 and I was able to calculate the DOS. I ran the SCF calculation first, followed by the NSCF calculation (with smearing, degauss value and shifted k-points 9 9 1) afterward I ran the program dos.x and I plotted the DOS. I did not get any error messages, everything worked. The k-points 9 9 1 that I am using were obtained after the convergence test was achieved. They are k-points at which the total energy of the system was the lowest. So, I think the NSCF calculation with the tetahedra method should have worked with that k-points grid.
Thank you Paolo, Oleksandr and Pietro for your assitance Regards - Pacome _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
