[Pw_forum] error in running band structure calculation in example01 under PW folder (QE version 5.0.2)

Surender surender_kumar at iitb.ac.in
Fri Mar 14 08:31:26 CET 2014


> but all output files are having namelist error
it's because bands.x needs a different input file which starts with &bands
but here you are using something else.

> error MPI ABORT process 0
this error probably stems from the previous error

> I dont know how to introduce bands.x correctly in the run_example
you don't have to... just go to PP/examples/example01 (as pointed out by
Ajit) and run it. It will calculate the band structure and charge density
which you can visualize using evince (or any other post script viewer).

> if it is very trivial
it should be if path to your binary and pseudo files are properly set (see


More information about the users mailing list