<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="RIGHT: auto"><SPAN style="RIGHT: auto"><SPAN><SPAN id=yiv1565053201result_box lang=en><SPAN class=yiv1565053201hps>hello</SPAN><SPAN>;</SPAN><BR><SPAN class=yiv1565053201hps>Please</SPAN> <SPAN class=yiv1565053201hps>I have</SPAN> <SPAN class=yiv1565053201hps>a</SPAN> <SPAN class=yiv1565053201hps>system</SPAN> <SPAN class=yiv1565053201hps>in</SPAN> <SPAN class=yiv1565053201hps>which</SPAN> <SPAN class=yiv1565053201hps>I have</SPAN> <SPAN class=yiv1565053201hps>a</SPAN> <SPAN class=yiv1565053201hps>nickel</SPAN> <SPAN class=yiv1565053201hps>atom</SPAN> <SPAN class="yiv1565053201hps yiv1565053201atn">(</SPAN><SPAN>transition material</SPAN><SPAN>)</SPAN> <SPAN class=yiv1565053201hps>in</SPAN> <SPAN class=yiv1565053201hps>the optimization stage</SPAN> <SPAN class=yiv1565053201hps>I</SPAN> <SPAN
class=yiv1565053201hps>afffiche</SPAN> <SPAN class=yiv1565053201hps>error in</SPAN> <SPAN class=yiv1565053201hps>lapw1</SPAN> <SPAN class="yiv1565053201hps yiv1565053201atn">(</SPAN><SPAN>can not open</SPAN> <SPAN class=yiv1565053201hps>unit</SPAN> <SPAN class=yiv1565053201hps>18)</SPAN> <SPAN class=yiv1565053201hps>how to solve this</SPAN> <SPAN class=yiv1565053201hps>problem</SPAN> <SPAN class=yiv1565053201hps>please</SPAN><BR><SPAN class=yiv1565053201hps>thank you in advance</SPAN><BR><SPAN class=yiv1565053201hps>cordially</SPAN> <SPAN class=yiv1565053201hps>mouna<VAR id=yui-ie-cursor></VAR></SPAN></SPAN></SPAN><BR class=yui-cursor></SPAN></div>
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<DIV style="BORDER-BOTTOM: #ccc 1px solid; BORDER-LEFT: #ccc 1px solid; PADDING-BOTTOM: 0px; LINE-HEIGHT: 0; MARGIN: 5px 0px; PADDING-LEFT: 0px; PADDING-RIGHT: 0px; HEIGHT: 0px; FONT-SIZE: 0px; BORDER-TOP: #ccc 1px solid; BORDER-RIGHT: #ccc 1px solid; PADDING-TOP: 0px" class=hr contentEditable=false readonly="true"></DIV><B><SPAN style="FONT-WEIGHT: bold">De :</SPAN></B> Mouna Mesbahi <mouna.mesbahi@yahoo.fr><BR><B><SPAN style="FONT-WEIGHT: bold">À :</SPAN></B> "wien@zeus.theochem.tuwien.ac.at" <wien@zeus.theochem.tuwien.ac.at> <BR><B><SPAN style="FONT-WEIGHT: bold">Envoyé le :</SPAN></B> Vendredi 20 janvier 2012 13h36<BR><B><SPAN style="FONT-WEIGHT: bold">Objet :</SPAN></B> <BR></FONT></DIV><BR>
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<DIV>I have already tried the dituted semicondictors please i want to ask you if it is obliged to pass by the generation of supercelle to add the impurity<BR><SPAN class=yiv1642901097hps>thank you in advance</SPAN><BR><SPAN class=yiv1642901097hps>cordially</SPAN> <SPAN class=yiv1642901097hps>mouna</SPAN> <SPAN class=yiv1642901097hps>Mesbahi<VAR id=yiv1642901097yui-ie-cursor></VAR></SPAN></DIV></DIV></DIV></DIV>
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