<br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">shamik chakrabarti</b> <span dir="ltr"><<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a>></span><br>
Date: Tue, Feb 1, 2011 at 9:39 AM<br>Subject: an doubt in the analysis of Density of States<br>To: A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<br><br><br clear="all">Dear Wien2k users,<div><br></div><div> I have a basic question regarding the analysis of Density of States. If we find some overlap of DOS of two nearest neighbor atoms at far below from Fermi energy say at -6 eV can we say that the orbitals of those two atoms overlap?.... As the orbitals belongs to the energy value below the valance bands the states corresponds to the core states of those individual atoms (they are definitely not the valance states!!)....then how can they overlap?...should we not consider the overlap as bonding for the states near (valance band) and at Fermi energy?.....Any response in this regard will be very fruitful for us. Thanking you,</div>
<div><br></div><div>with best regards,<br>-- <br>Shamik Chakrabarti<br>Research Scholar<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br>
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</div><br><br clear="all"><br>-- <br>Shamik Chakrabarti<br>Research Scholar<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br>