[QE-users] band_structure_calculation

[Giovanni Cantele]

unless I did something wrong, your input works for me. Maybe you have some hidden special character in the file that has not been pasted in the e-mail?

Giovanni

> On 5 Mar 2018, at 16:25, Amin Mirzai <amin.mirzai at mek.lth.se> 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 <mailto:users-bounces at lists.quantum-espresso.org>> on behalf of Paolo Giannozzi <p.giannozzi at gmail.com <mailto: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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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.fisica.unina.it/~cantele

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