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

damir pinek damir.pinek at lmgp.grenoble-inp.fr
Tue Mar 14 16:10:15 CET 2017


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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