[Wien] Impurity level

[Lyudmila Dobysheva]

>  I have got a supercell of InP with 16 atoms. I have changed one of the P
> atoms with Si. As I know this Si atom ( as impurity ) will produce a level
> in the band gap of the system (InP). I have found the band structure of the
> supercell of InP with and without Si.  So how can I find it.

Dear Sabra,

I think you need a band-character plotting. It will give you the band 
structure with weights proportional to the localization at the given atom.
If you make the pictures for all atoms, you'll see where and which atoms give 
contribution.
Look in  8.3 SPAGHETTI (energy bandstructure plots)
and 3.11.5 Bandstructure with band character plotting / full lines
in userguide.

Best regards
  Lyudmila Dobysheva 
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