<div dir="ltr">Dear Wien2k community,<div><br></div><div style> I have successfully optimized GaN in the zinc blend phase using LSDA. After that, I got the band structure using LSDA and mBJ (P-semiconductor parameters : A=0.267, B=0.656 and e=1).</div>
<div style> I noticed that mBJ significantly improves the band gap, but the SO splitting goes down from 12meV (LSDA) to 3 meV (mBJ). The experimental value is about 16 meV.</div><div style> Well, I would like to know if there is some way to keep both quantities well described.</div>
<div style> All the best,</div><div style> Luis</div><div style><br></div></div>