Dear Wien2k users,
I have simulated properties of a spinel compound.
It contains 32 oxygen & for some oxygen atoms the DOS is different than
other oxygen atoms. In this case which will be more meaningful:
(1) DOS averaged over all the O atoms OR
(2) Total DOS (dos obtained by addition of dos of all the O-atoms)
Thanks in advance.
with regards,
--
Dr. Shamik Chakrabarti
Post Doctoral Research Associate
Dept. of Condensed Matter Physics and Material Science
S N Bose National Centre for Basic Sciences
Kolkata-700098
INDIA
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