[Wien] band gap issue

[Gavin Abo]

Maybe okay?

"Next to :GAP in the scf file there is a warning: if you use a proper 
k-mesh. One always has to check this :GAP value and compare it vs. a 
detailed bandstructure plot, identifying the position of VBM and CBM. If 
the scf k-mesh is course or does not contain Gamma (shifted mesh), the 
quoted :GAP may be too large." [ 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15445.html ]

On 8/8/2017 4:01 PM, fatima DFT wrote:
> Dear List,
> I compiled the results of a complex structure with PBE+SO.
>
> Results look okay to me  what about I am worried is:
> When  I do grep :GAP *.scf on terminal then it shows band gap ~1.01 
> eV. When I see at the plots then it shows band gap ~0.7eV at Gamma point.
>
> Could you please tell me whats wrong here?
>
> Regards
> Fatima
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