<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt">Dear Shok,<br><br>I guess you have to set the "nbnd" parameter according to your needs, based on the number of electrons you have in your system.<br><br><div><span>Bertrand<br></span></div><div> <br><br></div><div><span style="font-size:13px;"><span style="font-family:garamond, new york, times, serif;">***************************</span><span style="font-family:garamond, new york, times, serif;">********</span><br><span style="font-family:garamond, new york, times, serif;"><b><span style="font-family:garamond, new york, times, serif;"><span style="font-family:garamond, new york, times, serif;"></span></span><span style="color:rgb(139, 139, 139);"><span style="font-weight:bold;">Bertrand SITAMTZE </span></span></b><span style="color:rgb(139, 139, 139);"><span style="font-weight:bold;"></span><br>Laboratory of Material
Sciences<br>Department of Physics<br>Faculty of Sciences<br>University of Yaounde I-Cameroon<br></span><span style="color:rgb(115, 115, 115);"><br>IMMM, Université du Maine<br>Le Mans, France<br></span>*******************************</span><span style="font-family:garamond, new york, times, serif;">*********</span></span><span style="font-size:13px;"><span style="font-family:garamond, new york, times, serif;"></span></span></div><div><br></div> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <hr size="1"> <font size="2" face="Arial"> <b><span style="font-weight:bold;">De :</span></b> pari shok <parishok@gmail.com><br> <b><span style="font-weight: bold;">À :</span></b> "pw_forum@pwscf.org" <pw_forum@pwscf.org> <br> <b><span style="font-weight: bold;">Envoyé le :</span></b> Jeudi 25 avril 2013
21h52<br> <b><span style="font-weight: bold;">Objet :</span></b> [Pw_forum] conduction band wavefunction<br> </font> </div> <div class="y_msg_container"><br><meta http-equiv="x-dns-prefetch-control" content="off"><div id="yiv1864014429"><div dir="ltr"><div><div><div><div><div>Dear All,<br></div>Is there a way to get the wave function (squared) of the conduction bands for semiconductor materials with quantum espresso?<br></div>It seems that the code calculates the wave functions (squared) of just the valence bands.<br>
</div>I appreciate any kinds of help.<br></div>Best.<br></div>P Shok<br></div>
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