[Pw_forum] Density of states

[Padmaja Patnaik]

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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