[QE-users] Problem when running bands.x
Aziz Fall
afall at umich.edu
Wed Sep 26 18:22:42 CEST 2018
Dear Quantum espresso team, I am a researcher from the University of
Michigan Ann Arbor, I have been closely following the tutorial to plot the
band structure of silicon on quantum espresso.
These two lines run fine and produce output files
/usr/local/apps/espresso-5.1/bin/pw.x < Si.scf.in > Si.scf.out
and
/usr/local/apps/espresso-5.1/bin/pw.x < Si.band.in > Si.band.out
but when I then run /usr/local/apps/espresso-5.1/bin/bands.x < bands.in >
bands.out
it gives me the following error on my output file
Parallel version (MPI), running on 1 processors
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine bands (1):
reading bands namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
I have checked the mailing list and made sure that the prefix and outdir is
the same on all my files, I even tried the -i after the executable that was
suggested on the mailing list, but none of those things fixed my problem.
Does anyone have any suggestions for how to solve my problem.
Thank You,
Sincerely Aziz Fall
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