[QE-users] negative fermi level

[Stefano de Gironcoli]

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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