[Wien] gap

ben amara imen imen.benamara5 at gmail.com
Wed Oct 17 17:26:24 CEST 2012


Hello !

 I want to determine the gap's value for my compound. So, I have calculated
DOS and structure bands SB. In my case, DOS gives a value , SB gives me
 another different value and I have found a another value in case.SCf2 . So
I have a three different value of gap !!!!

I want to know the singnification of each value (given by DOS; SB and
case.SC2 ) and what's the right value??? I mean what the right value  that
I have to choose

Can someone helps me please!
 And thanks in advance
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