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<p>The peaks in the png look indeed a bit strange. We can not have access to the eps file.<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Anupriya Nyayban <mamaniphy@gmail.com><br>
<b>Sent:</b> Saturday, July 17, 2021 3:28 PM<br>
<b>To:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Subject:</b> Re: [Wien] Confusion regarding supercell calculation</font>
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<div>Dear Prof. Tran,</div>
<div>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!
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<div>Additionally. I am curious to know when should we use the unfolding of the bandstructure?<br>
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<div><a href="https://drive.google.com/file/d/1oc2skbk1Vfa28OGaodlWtwXP_Z8F6HDc/view?usp=sharing">https://drive.google.com/file/d/1oc2skbk1Vfa28OGaodlWtwXP_Z8F6HDc/view?usp=sharing</a></div>
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<div><a href="https://drive.google.com/file/d/1IuOxHlNdrOaNXaVnoFz1RC1C5Z74U8Yv/view?usp=sharing">https://drive.google.com/file/d/1IuOxHlNdrOaNXaVnoFz1RC1C5Z74U8Yv/view?usp=sharing</a></div>
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<div>With regards</div>
<div>Anupriya Nyayban</div>
<div>Ph.D. Scholar</div>
<div>Department of Physics</div>
<div>NIT Silchar<br>
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