[Wien] mBJ calculation

Jameson Maibam j.maibam_official at yahoo.com
Wed Jul 4 18:09:42 CEST 2012


Dear Prof. Blaha,
I have run the mBJ for ZrO2 in monoclinic structure as per instructed in the userguide. The plotted bandstructure looks exactly the same as tha of calculated by ordinary LDA. It seems taht I am unable to plot the bandstructure of mBJ calculation.
Please hepl me.

Yours sincerely
Jameson Maibam
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