[QE-users] Band structure
Pietro Delugas
pdelugas at sissa.it
Mon Sep 28 17:43:07 CEST 2020
Hello
the program says there is something wrong in your input.
Here's a small description of the namelist of bands.x,
https://www.quantum-espresso.org/Doc/INPUT_BANDS.html
jusy check that everything is correct and if you don;t find anything
wrong post the input
greetings
Pietro
On 28/09/20 16:58, Menna Hasan wrote:
> I am trying to run the band structure post processing but it keeps
> giving me this error: " Program BANDS v.6.3MaX starts on 28Sep2020 at
> 15:30:59
>
> This program is part of the open-source Quantum ESPRESSO suite
> for quantum simulation of materials; please cite
> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
> URL http://www.quantum-espresso.org
> <http://www.quantum-espresso.org/>",
> in publications or presentations arising from this work. More
> details at
> http://www.quantum-espresso.org/quote
>
> Parallel version (MPI), running on 1 processors
>
> MPI processes distributed on 1 nodes
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Error in routine bands (5010):
> reading bands namelist
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping ...
> "
> I have tried all the commands suggested : bands.x <, -i and -inp
> please advise.
>
> Thanks
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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