[QE-users] band_structure_calculation

[Paolo Giannozzi]

There is nothing apparently wrong in your data. Try to remove one by one
the variables. If running in parallel, try to run on a single processor.
Try "bands.x -in file-name"

Paolo

On Mon, Mar 5, 2018 at 3:47 PM, Amin Mirzai <amin.mirzai at mek.lth.se> wrote:

> Dear QE users,
>
>
> Does anybody have any idea regarding following error:
>
>  %%%%%%%%%%%%%
>      Error in routine bands (1):
>      reading bands namelist
>  %%%%%%%%%%%%%%
> This error occurs while I try to plot band structure of the chosen
> material. All other calculations (scf and nscf) perform correctly. However,
> when it comes to bands.x calculation, it fails.
>
> here is the input file for the bands.x:
>
> &BANDS
>  prefix = "eu",
>  outdir = './out',
>  lsym = .true.,
>  filband = 'eu.dat'
>  /
>
>
> With kind regards,
>
>
> Amin Mirzai,
>
> PhD candidate
>
> Dept. of Maskinteknologi,
>
> Lund University,
>
> P.O. Box 118,
> SE-221 00 Lund,
> Sweden
>
>
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> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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