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 13 *** namelist &inputpp no longer valid: please use &bands instead 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130925/3cd5f9db/attachment.html
