[DFTB-Plus-User] plotting DOS and BAND with fermi energy

[Bálint Aradi]

On 03/25/2014 08:51 AM, 孙萍萍 wrote:
>  I still have a question, I make a test DOS calculation, the fermi level in the detail.out is -3.7902eV, after I plotted the DOS figure,
> the bandgap are in a range of -0.5~2 eV, the fermi level is not in the bandgap, I don't know why and urgent to get your help.

Maybe your system is metallic. Please check your geometry (especially
the periodic boundary conditions), to make sure that the system you
investigate is really the one you wanted.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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