<div dir="ltr"><div><div><div>Dear Prof. Blaha and WIEN2k user,<br><br></div>I am an extensive user of WIEN-2k and currently I am using version 12.1 .<br><br></div>I
am trying to calculate band gap of few oxides in WIEN2k using TB-mbj
functinal , but i am not aware of the steps involved. (I tried checking
in the mailing list but did not get much insight)<br><br></div><div>In WIEN2k 12.1 there is no such executable<b> </b>as
init_mbj_lapw . So I am not sure how to start my calculation. Any
suggestion and small insight in this regards with be highly helpful.<br><br></div><div>Thank you all in advance</div><div><br></div><div><br></div><div><br></div><div><br></div><div>Regards</div><div>David yang</div><div>
Ph D student</div><div>NUS Singapore</div></div>