I have calculated the band structure of PbTe using spin-orbital coupling. The gap is about 0.2 eV. Maybe you forgot -so when plotting the band.<br><br>
<div><span class="gmail_quote">2008/5/19, Dima Vingurt <<a href="mailto:dimavingurt@gmail.com">dimavingurt@gmail.com</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div>Dear wien2k users,</div>
<div>I am performing calculations of the energy gap in PbTe. Even with spin-orbit coupling this gap comes out of the order 0.7 eV instead of 0.2eV. Do somebody have any experience and can provide me with suggestions or recommendations how to perform calculations to obtain correct result?</div>
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<div>Dima V.</div><br>_______________________________________________<br>Wien mailing list<br><a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
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