[Wien] Total DOS or Average DOS

shamik chakrabarti shamikphy at gmail.com
Sat Sep 23 16:26:07 CEST 2017


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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