[QE-users] negative fermi level

[Neelam Swarnkar]

thanks for reply.


On Tue, May 26, 2020 at 4:06 PM Stefano de Gironcoli <degironc at sissa.it>
wrote:

> the zero of eigenvalue energy in a solid is arbitrarily set at the
> electrostatic average potential.
>
> there is nothing special in the zero value for the eigenvalues in a solid,
> in particular it is not the value of the potential at infinite distance
> (which cannot be defined in a solid extending to infinite).
>
> HTH
>
> stefano
> On 26/05/20 12:30, Neelam Swarnkar wrote:
>
> Dear Expert , user and all
>
>
> I am calculating , the scf ,nscf calculation of B-Zn4Sb3 material . by
> PBE-PAW xc . and nscf.out file found the fermi energy = -1.6482 eV
>  So, i want to know that , negative fermi energy is possible in the qe
> calculation or not .
>
> thanks in advance
>
>
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