<html>
<head>
<meta http-equiv='Content-Type' content='text/html; charset=UTF-8'>
</head>
<body>
<style>
font{
line-height: 1.5;
}
</style>
<div style = 'font-family:"微软雅黑"; font-size: 14px; color:#000000; line-height:1.5;'>
<div>
<div>Dear developers,</div><div> I am calculating silicon phonon dispersion, however, I got confused about the dispersion along K-X.</div><div><br></div><div> I found there are apparently different results on the web. Some are the same with my calculation, most are not.</div><div><br></div><div> My result along k-path "Γ - K - X - Γ - L" is here: <br> <a href="https://pasteboard.co/GzWanr4.png" _src="https://pasteboard.co/GzWanr4.png">https://pasteboard.co/GzWanr4.png</a><br> The only result that is the same with me is on QuantumWise page : <br> <a href="http://quantumwise.com/about-us/item/836-silicon-phonon-bandstructure" _src="http://quantumwise.com/about-us/item/836-silicon-phonon-bandstructure">http://quantumwise.com/about-us/item/836-silicon-phonon-bandstructure</a></div><div><br></div><div> However, most of the results that I googled is quite different along K-X, for example</div><div> <a href="http://exciting-code.org/phonon-properties-in-diamond-structure-crystals" _src="http://exciting-code.org/phonon-properties-in-diamond-structure-crystals">http://exciting-code.org/phonon-properties-in-diamond-structure-crystals</a></div><div> or paper<br> DOI: 10.1103/PhysRevB.87.165201 in which the author claimed they calculate the phonon by QE</div><div> </div><div> I notice that the length of K-X is not the same in two different result. </div><div> Besides the same problem exists for similar structure like AlAs etc. </div><div> But I don't know what is going wrong here? Which is the right result? Thank you for helping.</div><div><br></div><div>best regards</div><div><br></div><div> </div><div> </div><div> </div><div id="ntes-pcmail-signature" style="font-family:'微软雅黑'"><font style="padding: 0; margin:0;"> </font>
</div><br>
</div><style type="text/css">
a#ntes-pcmail-signature-default:hover {
text-decoration: underline;
color: #3593db;
cursor: pointer;
}
</style><!--😀-->
</div>
</body>
</html>