Dear Prof. Tran sir, Thanks for your kind response sir. Now I got the relation for the percentage of the hybridization. But still I have a small query, how we can estimate the actual size of the radius, it means the exact percentage of hybridization?
On Thu, Mar 27, 2014 at 6:03 PM, <t...@theochem.tuwien.ac.at> wrote: > 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 >> >> >> >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > -- -- *Regards* VIJAY KUMAR GUDELLI
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