[xcrysden] MgB2 Fermi Energy file problems.

[Tone Kokalj]

On Thu, 2009-04-09 at 14:17 +0300, Erkan Tetik wrote:
> Hi, my name is Erkan Tetik;
>  
> I have reviewed "MgB2.bxsf" file. Files in ;
>  
>  BEGIN_INFO
>    Fermi Energy:     0.523040
>  END_INFO
>  BEGIN_BLOCK_BANDGRID_3D
>  band_energies
>  BANDGRID_3D_BANDS
>  3
>  13 13 10
>       0.00000000      0.00000000      0.00000000
>       0.19797900      0.00000000      0.00000000
>       0.09898900      0.17145400      0.00000000
>       0.00000000      0.00000000      0.15027000
>  BAND:    7
>  5.535900e-01 5.565960e-01 5.643610e-01 5.737380e-01 5.801700e-01
> 5.801700e-01
> ...
> I did not understand what is happening in some values. 

See: http://www.xcrysden.org/doc/XSF.html#__toc__14

(there is the description of every line/field)

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
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