[Pw_forum] I can't print my bands

[Pieremanuele Canepa]

Dear all,
nobody know how Can I figure out the band gap once I got the bands
calculation with PWscf? Do I need to use the ruler or there is some
particular feature allowing me to carry it out ?
Many Thanks, Piero

On Mon, Mar 23, 2009 at 7:07 PM, Pieremanuele Canepa <pc229 at kent.ac.uk>wrote:

> Dear all,
> I am attempting  to figure out how to print out a bands graph of my AFM
> hematite.
> Then I prepared the file band.in as explained in /Doc/INPUT_Band
> and I attached it down here
> &INPUTPP
> prefix='band_BLYP',
> outdir='/home/pc229/backup/
> Counts/PWscf/Fe2O3_bulk/PWSCF/Fe2O3_bulk/opt_bulk_BLYP/',
> filband='band_BLYP.out',
> /
>
> if try to run it using bands.x  I will get in my output file the following
> error:
>  Program POST-PROC v.4.0.4  starts ...
>      Today is 23Mar2009 at 18:56:50
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from bands : error #         1
>      The bands code with constrained magnetization has not been tested
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> So, what I am suppose to do ?  How can I print my bands??
> Thank you, Piero
>
> --
> Pieremanuele Canepa
> Room 230
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
> --------------------------------------------------------
>



-- 
Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom
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