[Wannier] CoSi2 wannier

[JinLuo Cheng]

Some general comments: In fact, I think this band fitting is not good 
enough, which may be one of the signature that the spread is still quite 
large. Because all these bands are crossed, I think it is better to use 
disentanglement. And by the way, it is necessary to check if your 
projections are good for these bands, which can be justified from a kind 
of projected density of states calculation (I heard this from someone 
else, but I have no idea how to do it).


Best,
JinLuo

On 2016年02月13日 17:04, KuangChung Wang wrote:
> Please allow me to post it again. Since I wasn't aware of how this 
> forum is organized and just posted scattered info. Let me redo the job.
>
> Dear wannier community:
>
> I am trying to work on CoSi2. Using the initial projection as shown.
> However, the spreading is still quite large and the Bandstructure is 
> quite wiggling. Although it looks good enough if we just consider the 
> bands around Ef~8eV Wonder if there are good suggestions on how to 
> choose the projections. Or if the disentanglement is needed in this 
> case. Thank you.
>
> Here I have appended the bandstructure and the *.win file.Inline image 1
>
>
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-- 
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JinLuo Cheng

B-Phot, Floor 9, Building F Pleinlaan 2, 1050 Elsene, Belgium

Email:  jinluocheng.phys at gmail.com, jcheng at b-phot.org
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