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<p>Are you calculating Density of States (DOS) or bands.</p>
<p>In DOS the k-points are widened to give a smooth curve, so Ef is surpassed by a little DOS tail.</p>
<p>In the bands Ef should be touching the upper edge of the band.</p>
<p> Saludos</p>
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<p> Pablo<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" color="#000000" face="Calibri, sans-serif"><b>De:</b> wien-bounces@zeus.theochem.tuwien.ac.at <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de Sahra Sahraii <sahraii1900@yahoo.com><br>
<b>Enviado:</b> domingo, 05 de octubre de 2014 04:47 a.m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Asunto:</b> [Wien] band structure in semiconductors</font>
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<div dir="ltr" id="yiv5033916286yui_3_16_0_1_1412501727861_3952">Dear wien2k users</div>
<div dir="ltr" id="yiv5033916286yui_3_16_0_1_1412501727861_3952"><br>
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<div dir="ltr" id="yiv5033916286yui_3_16_0_1_1412501727861_3952">I'm calculating electronic band structure of some narrow band gap semiconductors, according to these calculations the top of the valance band locates a bit above the Fermi level , the top of the
valance band crosses the fermi level, what does it mean? why in these compounds that they are semiconductors, the Fermi level is crossed by the valance band. </div>
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Best wishes</div>
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Sahraii</div>
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