<div dir="ltr"><div> Dear All,<br> When i generated the band structure of tin oxide bands cross each other.. if we see the energy values of the last two bands for both k points ( at which it cross) below we can the energy values of 2 bands are interchanged.. Why this happen in a band diagram.. <br>
</div>it happens in 4 to 5 places like this...<br><br>What is the reason for this and how to rectify it?<br><div><div><div><br></div><div>(This is a part of bands.x output .dat file)<br></div><div><br>0.475000 0.475000 0.500000<br>
-11.826 -11.816 -11.611 -11.599 -11.129 -11.126 -11.123 -11.104 -11.120 -11.103<br> -8.122 -8.102 -7.147 -7.133 1.555 1.565 4.595 4.595 5.839 6.351<br> 5.985 6.495 7.988 8.015 8.059 8.086 13.445 13.457 17.638 19.077<br>
17.657<br> 0.500000 0.500000 0.500000<br> -11.816 -11.816 -11.611 -11.611 -11.126 -11.126 -11.123 -11.103 -11.123 -11.103<br> -8.104 -8.104 -7.148 -7.148 1.554 1.554 4.592 4.592 5.987 6.354<br>
5.987 6.354 8.022 8.022 8.060 8.060 13.443 13.443 17.650 17.650<br> 19.149<br><br></div><div><br></div><div>-- <br><div dir="ltr"><div><div><div><div><div>Thanks,<br></div>Balaji.V<br></div>M.Tech Nanoscience and Technology,<br>
</div>Centre for Nanoscience and Technology,<br></div>Madanjeet School of Green Energy Technologies,<br></div>Pondicherry University.<br></div>
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