[Pw_forum] ZnAlO4 Band gap

[Winfred Mulwa]

Dear all,
I am calculating the band gap of ZnAlO4 using the attached inputfile.
My results show a band gap of 10eV compared to experimental value of 3.8eV.
Please somebody tell me where i went wrong.
Regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150515/b74fb3fa/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: sv.bands.in
Type: application/octet-stream
Size: 6393 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150515/b74fb3fa/attachment.obj>