[Wien] sp3 hybridization(Wien2k)

[Udai Pratap Verma]

Respected users,

I am trying with AlN (indirect) band gap. I have done all calculation with band gap of AlN = 3.37
Through my calculation I have find 14 electron in the valence. It consider the 2p state in the valance. I think Wien2k code automatically generates the number of valence electron in the valence. how I can proceed with out taking 2p state of Al in valence (keep in core) I have tried but lot of anomalies in the band structure. Any one suggest me i will be thanks full to u.
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