[Pw_forum] ZnAlO4 Band gap

Winfred Mulwa mulwawinfred at gmail.com
Fri May 15 16:02:26 CEST 2015

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.
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
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