[Pw_forum] problem with bands.x
Paolo Giannozzi
p.giannozzi at gmail.com
Wed Sep 21 21:03:16 CEST 2016
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> 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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