[Pw_forum] Density of states
padmaja_patnaik at yahoo.co.uk
Fri Nov 6 21:27:55 CET 2009
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 (Would like to attach pfd of the plot but mail delivery fails with attachment pdf 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.
Dept of Physics
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