[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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