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

Ajit Kumar Jena jenapsi at gmail.com
Fri Mar 14 05:16:25 CET 2014

Dear Priya,
                 To see the band structure of the given example you need to
go to PP(espresso-5.0.2/PP/examples/example01) directory not to PW. The
executable bands.x is already there. you don't have to do anything. There,
you just run the command


it's done.

Thanks & Regards,

Research Scholar,
IIT Madras

On Fri, Mar 14, 2014 at 2:14 AM, priya shrivastava <
priyashrivastava16 at gmail.com> wrote:

> Dear All,
> In this error : no output is generated in si.bands.david.out & no other
> output files is generated i.e si.band.cg.out etc..
> I think because in run_example file no command has been given to run
> bands.x to perform band structure calculation so after this line
> # how to run executables in the run_example file ,I appended  bands.x to
> run band structure calculations
> After this ,I run the code then all files were generated like in reference
> folder , all input files are ok
> but all output files are having namelist error and error file have one
> more error MPI ABORT process 0
> I dont know how to introduce bands.x correctly in the run_example so it
> would do calculations for bands also  and generate files similar to
> reference folder.
> please help....I am sorry if it is very trivial ..:(
> Thanks
> Priya Shrivastava
> Phd student
> Indian Institute of Technology,Bombay
> India
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