[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121017/d8aeff2a/attachment.htm>
More information about the Wien
mailing list