[Wien] Correct band gap value

[tran at theochem.tuwien.ac.at]

If your k-mesh is not dense enough such that there is no k-point
at the VBM and/or CBM or close to, then :GAP will be larger than
the band gap from a band structure.

F. Tran

On Wed, 9 Dec 2015, Muhammad Sajjad wrote:

> Dear AllDoes the command "grep GAP *.scf" gives correct band gap value? as when I found the bottom of conduction band in xmgrace it is higher. (bottom of CB is
> read correctly by opening the plot in xmgrace and then read the date by editing in text editor).
> 
> --
> Kind Regards
> Muhammad Sajjad 
> Post Doctoral Fellow
> KAUST, KSA.
> 
>