[Pw_forum] Question about plotting DOS

kajal jindal kajalmh18 at gmail.com
Fri May 21 12:12:07 CEST 2010


Hi,

I am working on 3*3*3 supercell of ZnO...and I am replacing two  Zn atoms by
2 Co atoms in it...Using the input file projwfc.x, I have calculated the
projected DOS..
Firstly I want to know, what is clearly the difference between PDOS and
LDOS.???
Also, Since I have 108 atom supercell, So Corresponding to every atom I have
a output file containing its DOS.....So, when i want to plot partial DOS for
the whole system,shall I take an average of DOS over all Zn atoms and all O
atoms and so on????? I am really confused that PDOS for which atom should I
consider while plotting PDOS for the whole system????

Thanks in advance,

sincerely,
Miss Kajal
(UTA)(University of Delhi)
Junior Research Fellow
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