[Wien] Reg; Percentage of hybridization

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu Mar 27 13:33:15 CET 2014


Yes, with "band-character plotting". The size of a circle is
proportional to the percentage of state of an atom (see Sec. 8.18
in the user's guide).

On Thu, 27 Mar 2014, vijaykumar gudelli wrote:

> Dear WIen2k Users,
>  Is it possible to calculate the amount (percentage) of hybridization of the
> atoms in the band structure?
> Specifically, as shown in these paper
> https://journals.aps.org/prb/pdf/10.1103/PhysRevB.81.155103
> 
> Thanks in advance.
> 
> --
> -- Regards
> 
> 
> VIJAY KUMAR GUDELLI
> 
> 
> 
>


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