[Wien] help required

[Laurence Marks]

 Assuming that "from Analysis" you mean experrimental data, and "Plot
of Band Gap" you mean what Wien2k is giving, the explanation is that
many DFT functionals underestimate experimental band gaps.

If this is not what you mean please explain in more detail and perhaps
someone can help.

2012/3/28 MOWAFAQ MOHAMMAD KETHYAN AL-SARDIA <mkamowafaq2 at live.utm.my>:
> Respected Wien2k users
>
> I am Working on a Binary compound . when I check its Band Gap value from
> Analysis 0.526 eV but when I closely monitor the Plot Of Band Gap visually
> there is no Gap between conduction and valence band i,e: it is showing zero
> Band Gap Value.
> What the reason behind this difference  ?
>
>
>  I will be very thankful to you
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi