[Pw_forum] Density of states
Padmaja Patnaik
padmaja_patnaik at yahoo.co.uk
Fri Nov 6 21:46:41 CET 2009
Dear all
I am working on semiconductors with impurities and
calculating with quantum espresso code. The density of states plot for
unrelaxed condition shows the band gap and when relaxed the plot shows
no band gap (please refer to the attached file). Is this enough to tell
that its half-metallic after relaxation? Or do i have to look at some
other values also? If yes what should i look at.
Thanx in advance.
Regards
Padmaja Patnaik
Research Scholar
Dept of Physics
IIT Bombay
Mumbai, India
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