[Wien] Reg; Percentage of hybridization

[vijaykumar gudelli]

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, <tran at 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 at 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140327/491e4c73/attachment.htm>