[QE-users] band_structure_calculation

[Amin Mirzai]

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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