[Wien] Using TB-mbj functional in WIEN-2k

[david yang]

Dear Prof. Blaha and WIEN2k user,

I am an extensive user of WIEN-2k and currently I am using version 12.1 .

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)

In WIEN2k 12.1 there is no such executable* *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.

Thank you all in advance




Regards
David yang
Ph D student
NUS Singapore
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