[Pw_forum] Error in routine bands

[Caroline]

Thank you Feng. Could you elaborate on that please. I am doing tutorials
to learn band structure calculation.
Thanks alot,


On 9 May 2014 16:10, Feng, Zimin <Feng.Zimin at ireq.ca> wrote:

>  use a k-mesh
>
>  ------------------------------
> *De :* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] *De
> la part de* Caroline
> *Envoyé :* 9 mai 2014 16:01
> *À :* pw_forum at pwscf.org
> *Objet :* [Pw_forum] Error in routine bands
>
>   Dear all,
>
> I am doing Pwscf simple tutorials for Silicon. I am collecting band
> results for plotting:
>
> bands.in
>
>  &bands
>     prefix  = 'silicon'
>     outdir= '/tmp/espresso'
>     filband = 'bands.dat'
>
>  then run bands.x < bands.in
>
> and get the error below
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine bands (1):
>      gamma_only case not implemented
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> Could you please help?
> Thanks
>
>
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