[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 13 *** namelist &inputpp no longer valid: please use &bands instead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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