[QE-users] band_structure_calculation

[Thomas Brumme]

Dear Amin,


I sometimes get problems if I use the quotation marks " instead of '


Regards


Thomas


On 05.03.2018 16:25, Amin Mirzai wrote:
> i tried it.. I even tried it on different machines with different 
> names, with both serial and parallel commands  but still the same 
> error appears !!!
>
> Thanks anyway,
>
> Amin
>
> ------------------------------------------------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of 
> Paolo Giannozzi <p.giannozzi at gmail.com>
> *Sent:* Monday, March 5, 2018 4:03:13 PM
> *To:* Quantum Espresso users Forum
> *Subject:* Re: [QE-users] band_structure_calculation
> 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 
> <mailto: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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>
>
>
>
> -- 
> 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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-- 
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig

Tel:  +49 (0)341 97 36456

email: thomas.brumme at uni-leipzig.de

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