<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><span><div><span>Dear Prof. Gregory</span></div><div><span>I have noticed that the band structure got from ordinary LSDA and mBJ of ZrO2 in monoclinic structure seems exactly the same. And the earlier reported value of band gap of ZrO2 in monoclinic structure with GW did not match at all. I did run lapw1 -band provided in the gui of w2web after using the mBJ potential. Is is to be run in the terminal?</span></div><div><span>Please help</span></div><div><span>Thanks in advance</span></div><div></div><div> </div><div>Yours sincerely</div><div>Jameson Maibam</span>_______________________________________________<br>Wien mailing list<br><a href="mailto:Wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a
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