[Pw_forum] bands.x help-resubmitted

nuri oncel nurioncel at hotmail.com
Wed Sep 25 20:30:00 CEST 2013


Dear Pietro,
Thanks for the suggestions. I actually tried it before but now I removed the comma after the &bands and it worked. 
Now I have another error. (see below)
Do you have any suggestions?
Thanks,
Nuri
  2      Program BANDS v.5.0.2 (svn rev. 9392) starts on 25Sep2013 at 13:22: 1  3   4      This program is part of the open-source Quantum ESPRESSO suite  5      for quantum simulation of materials; please cite  6          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);  7           URL http://www.quantum-espresso.org",  8      in publications or presentations arising from this work. More details at  9      http://www.quantum-espresso.org/quote.php 10  11      Parallel version (MPI), running on     8 processors 12      R & G space division:  proc/nbgrp/npool/nimage =       8 13  14  15  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 16      Error in routine bands (1): 17      gamma_only case not implemented 18  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 19  20      stopping ... 21 




> Date: Wed, 25 Sep 2013 18:46:28 +0200
> From: pietro.bonfa at fis.unipr.it
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] bands.x help-resubmitted
> 
> Dear Nuri,
> 
> the solution is in the error message that you attached to your email.
> 
> On 09/25/13 18:30, nuri oncel wrote:
> >  13 *** namelist &inputpp no longer valid: please use &bands instead
> 
> So, just change &inputpp to &bands in your input file.
> 
> You probably have a different (old) version of QE on your desktop.
> 
> Regards,
> Pietro
> 
> -- 
> Pietro Bonfa' - PhD student
> Dipartimento di Fisica e Scienze della Terra "Macedonio Melloni"
> Viale delle Scienze 7A
> 43124 Parma - Italy
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