[Wien] questions about Fermi Energy for insulator such as borate minerals

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Sat Aug 2 11:29:08 CEST 2014


http://www.matfys.lth.se/education/FYSA31/bandstructure_intro.pdf

On Sat, 2 Aug 2014, Bing Zhou wrote:

> Dear all,
>
> I am not familar with the basic physical concept of Fermi Energy due to my background, could you please help me with the following questions:
>
> 1. Fermi Energy results are listed in case.scf?
> 2. Fermi Energy is same for a borate mineral (insulator), or it changes according to the type of atoms in the structure (say O, B, Ca, K, Na)?
> 3. Fermi Energy is usually around 0.0 Ry for an insulator mineral?
> 4. Fermi Energy can be shown on DOS map?
>
> Thank you in advance!
>
> Bing
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