[QE-users] Band structure

[Menna Hasan]

Dear Ms. Pietro,
Thank you for your reply, I checked and nothing is wrong, here is the input
file:

&BANDS
  prefix='TiO2'
  outdir='./'
  filbands='bands.dat'
/

On Mon, Sep 28, 2020 at 5:43 PM Pietro Delugas <pdelugas at sissa.it> wrote:

> 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",
>      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
>
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