[Pw_forum] problem with bands.x

[Abdullah N. Albarakati]

Dear Paolo Giannozzi,

Thank you very much,

I have downloaded espresso-5.0.2-5.0.3.diff and then I run the following command line

> patch -p1 < espresso-5.0.2-5.0.3.diff

the response is in the attached file

Thank you very much


________________________________
From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] on behalf of Paolo Giannozzi [p.giannozzi at gmail.com]
Sent: Wednesday, September 21, 2016 10:03 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] problem with bands.x

It was fixed more than 3 years ago: http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseView&release_id=128

Paolo

On Wed, Sep 21, 2016 at 8:26 PM, Abdullah N. Albarakati <anbarakati at uqu.edu.sa<mailto:anbarakati at uqu.edu.sa>> wrote:
Dear experts,

I want to calculate bans structure for a system having 80 atoms.  I run a scf and bands calculations and then UI used bands.x .  The output of bands.x is below

"     Program BANDS v.5.0.2 (svn rev. 9392) starts on 21Sep2016 at 21: 3:39

     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);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote.php

     Parallel version (MPI), running on     1 processors

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     gamma_only case not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ..."

What is the wrong ?

The three input files are attached,

Thank you in advance

Abdullah



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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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