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[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

In abinit the Fermi level (or HOMO) is calculated and printed to file
- it is not set to 0. The indeterminacy in the absolute eigenvalues is
intrinsic: the electrostatic potential for G=0 is set to 0, but that
is all.

subtract the Fermi level from the bands to get your expected result

Matthieu

On Mon, May 4, 2009 at 8:00 AM, Anglade Pierre-Matthieu
<anglade@gmail.com> wrote:
> Hi,
>
> I wonder if it could be because band energy is defined up to a
> constant in DFT calculation, and that usually people tend to choose
> this constant such that the fermi energy is zero ?
>
> regards
>
> PMA
>
> On Thu, Apr 30, 2009 at 12:17 PM, mourad <mbarki_mourad@yahoo.com> wrote:
>> Dear users,
>> when I calculate the band structure an density of states of Zno and 
>> compared my
>> resuIt with other I found that the fermi energie dont coincide with zero, I
>> dont know the problem.
>>
>
>
>
> --
> Pierre-Matthieu Anglade
>
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
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Mail : matthieu.jean.verstraete@gmail.com
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