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<body class='hmmessage'><div style="text-align: left;"><pre>Dear <b>Gerhard,<br> The band edge of Bi2Te3 is not in the listed high symmetry directions. Actually I don't know the plane it is in.<br>Is there any file listed all the k points and the energy of each band? <br><br>Thanks<br><br>Baoling Huang<br></b>-----Ursprüngliche Nachricht-----<br>Von: <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien-bounces at zeus.theochem.tuwien.ac.at</a> im Auftrag von Baoling Huang<br>Gesendet: Fr 26.10.2007 00:13<br>An: <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien at zeus.theochem.tuwien.ac.at</a><br>Betreff: [Wien] How to get the position of band edge
<br>You will find all bands at all high symmetry directions in the case.spaghetti_ene file.<br><br><br>-----Ursprüngliche Nachricht-----<br>Von: <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien-bounces at zeus.theochem.tuwien.ac.at</a> im Auftrag von Baoling Huang<br>Gesendet: Fr 26.10.2007 00:13<br>An: <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">wien at zeus.theochem.tuwien.ac.at</a><br>Betreff: [Wien] How to get the position of band edge<br> <br>Dear wien2K users,<br> I am trying to get the position (k space) of band edge in the band structure of Bi2Te3. I already get the band gap from Bi2Te3.scf file and the corresponding band index.<br>But I don't know how to specify the position of the band edge in the k-space. Anyone has an idea?<br><br>Thanks a lot<br><br>Baoling Huang</pre></div><br /><hr />Help yourself to FREE treats served up daily at the Messenger Café. <a href='http://www.cafemessenger.com/info/info_sweetstuff2.html?ocid=TXT_TAGLM_OctWLtagline' target='_new'>Stop by today!</a></body>
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