The reason why I am asking about it, is because i have used similar parameters setting like the ones used in other published journals, but all my results are above 5.00eV. whereas for those papers i followed their results are less than 5.00eV. most of the papers are 4.90eV.
Mohammadali Ahmadzadeh
Dear Alieu Jallow,
There are lots of known band structures that all of the researchers confirmed them. Also, the experimental result demonstrates their behavior. You should first calculate one of these material's band structures and then validate your result with its confirmed band structure. Therefore you can trust your calculation. Finally, calculate your desired band structure using Material Studio. Good luck!
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