[Wien] Confusion regarding supercell calculation

[Anupriya Nyayban]

Dear Prof. Tran,
I have found the discrepancy  in bandstructure plot (batchband.png) when it
is plotted in batch mode. There is a sharp peak along X to S, which seems
to overlap with the previous levels. But I could see there is no overlap
(which I expect) after analyzing and plotting (plotband.eps) the
"case.spaghetti_ene" file. Both the files I have shared here via google
drive link. I am confused why this has happened!
Additionally. I am curious to know when should we use the unfolding of the
bandstructure?


https://drive.google.com/file/d/1oc2skbk1Vfa28OGaodlWtwXP_Z8F6HDc/view?usp=sharing

https://drive.google.com/file/d/1IuOxHlNdrOaNXaVnoFz1RC1C5Z74U8Yv/view?usp=sharing

-- 
With regards
Anupriya Nyayban
Ph.D. Scholar
Department of Physics
NIT Silchar
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