[Wannier] (no subject)

[Nicola Marzari]

kazempou at fhi-berlin.mpg.de wrote:
> Hi all
> I want to ask ::
> Does the wannier function affect the shape of band structure( I mean Does
> it contribute to band structure renormalization?).
> I want to use wannier90 to see the effect of impurity in semiconductor
> band structure.Can I describe the the defect induced level more accurate
> by wannier or not?
> thanks  a lot

The Wannier picture is obtained from post-processing - it doesn't change 
anything.
You could use it to get a more physical picture of the electronic 
structure induced
by the presence of the defect, though. Have a look at some of the early 
papers on
the topic - Silvestrelli et al SSC 1998, and Fornari et al ~2000.

             nicola

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Prof Nicola Marzari   Department of Materials Science and Engineering
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