[Wien] How to get the orbital character of a band

[Peter Blaha]

Have a look at the "getting started" example in the usersguide, where 
for TiC the fat-bands plots are explained.

Numerical details for each eigenvalue are listed in case.qtl.


On 03/14/2017 04:10 PM, damir pinek wrote:
>
> Dear all,
>
> I'm using WIEN2K (Spaghetti and Xcrysden) to simulate the band
> structures/fermi surfaces of a family of HC nanolamellar carbides. So
> far, I have had a good qualitative matching between my experiments and
> the band structures calculated with WIEN2K.
>
> Now, I would like to have access to the weight of the orbitals involved
> in every bands crossing the Fermi level, for all the different k points
> of the first brillouin zone.
>
> Where would I be able to have access to such datas? Within which output
> file?
>
>
> Best regards,
>
> Damir Pinek
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
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