[QE-users] Band structure

[Vahid Askarpour]

It should be filband not filbands.

Cheers,
Vahid

Vahid Askarpour
Department of physics and atmospheric science
Dalhousie University
Halifax, NS

On Sep 28, 2020, at 1:29 PM, Menna Hasan <menna.hasan at aucegypt.edu<mailto:menna.hasan at aucegypt.edu>> wrote:

CAUTION: The Sender of this email is not from within Dalhousie.
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<mailto: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<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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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu/>)
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>)
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