[Pw_forum] bands.x help

[Axel Kohlmeyer]

On Sun, Mar 16, 2014 at 7:17 AM, H*X <85904751 at qq.com> wrote:
> Hi, all,
>   While running a band structure calculation of bulk silicon, running
> bands.x < bands.in > bands.out gives me the following error:
>  Program BANDS v.5.0.2 (svn rev. 9392) starts on 16Mar2014 at 18:25:47
>
>
>     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 ...
>
>
>   Espresso-5.0.2-5.0.3.diff have been downloaded and installed. I am
> confused with the problem for a few days. It is very kind of you to help me.

try this, please: http://lmgtfy.com/?q=gamma_only+case+not+implemented


>
>
> Best regards,
>                     Xin He
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.