<div dir="ltr"><div><div>Dear Prof. Tran sir,<br></div> Thanks for your kind response sir. Now I got the relation for the percentage of the hybridization. <br></div> But still I have a small query, how we can estimate the actual size of the radius, it means the exact percentage of hybridization? <br>
<div class="gmail_extra"><br><br><div class="gmail_quote">On Thu, Mar 27, 2014 at 6:03 PM, <span dir="ltr"><<a href="mailto:tran@theochem.tuwien.ac.at" target="_blank">tran@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Yes, with "band-character plotting". The size of a circle is<br>
proportional to the percentage of state of an atom (see Sec. 8.18<br>
in the user's guide).<div class="HOEnZb"><div class="h5"><br>
<br>
On Thu, 27 Mar 2014, vijaykumar gudelli wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear WIen2k Users,<br>
Is it possible to calculate the amount (percentage) of hybridization of the<br>
atoms in the band structure?<br>
Specifically, as shown in these paper<br>
<a href="https://journals.aps.org/prb/pdf/10.1103/PhysRevB.81.155103" target="_blank">https://journals.aps.org/prb/<u></u>pdf/10.1103/PhysRevB.81.155103</a><br>
<br>
Thanks in advance.<br>
<br>
--<br>
-- Regards<br>
<br>
<br>
VIJAY KUMAR GUDELLI<br>
<br>
<br>
<br>
</blockquote>
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<br></blockquote></div><br><br clear="all"><br>-- <br>-- <u>Regards</u><br><br><br>VIJAY KUMAR GUDELLI<br><br><br>
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