[Pw_forum] gap from DOS and bandstructure

Gabriele Sclauzero sclauzer at sissa.it
Thu Jun 11 10:03:47 CEST 2009


Mansoureh Pashangpour wrote:
> Dear all
>  I have calculated DOS and Bandstructure  for a system.
>  I expect to find similar gap from two runs.
> But they have 0.4 eV difference with each other. What is the root of 
> this differenc?

Maybe the gap is not at the k-point where you expected it to be? Maybe something else... 
how to guess with such a little of information on your system (as well as about your 
affiliation).

GS

> Thanks
> Pashangpour
> 
> 
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| Gabriele Sclauzero, PhD Student                  |
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