Resp. all
I am facing one problem in calculating the band structure. I am using the
wien2k code for my calculations, so when i calculated the band-structure it
shows the direct band gap nature but the previously calculation where they
use the Quantum-ESPRESSO code shows indirect band gap nature. I tried to
plot with same symmetry points (VBM Y Z M G X) but unfortunately it does
not exist with me. the structure is monoclinic (space group # 12).
So please help me.
Regards
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