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.
sv.bands.in
Description: Binary data
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