[Wien] Fwd: an doubt in the analysis of Density of States

[shamik chakrabarti]

---------- Forwarded message ----------
From: shamik chakrabarti <shamikphy at gmail.com>
Date: Tue, Feb 1, 2011 at 9:39 AM
Subject: an doubt in the analysis of Density of States
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>



Dear Wien2k users,

                            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,

with best regards,
-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA



-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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