<div><br></div><div><div><div><div>Dear delamora</div><div>I have increase the emax in case.in1,and it works! thank you!<span id="_editor_bookmark_start_3" style="display: none; line-height: 0px;"></span></div></div><div style="line-height: 21px;"><b t="u" class="grn" style="color: rgb(95, 162, 7); font-family: 'lucida Grande', Verdana; font-size: 12px; line-height: normal; background-color: rgb(239, 245, 251);"><span id="_editor_bookmark_start_2" style="display: none; line-height: 0px;"></span></b></div></div><div><br></div><div style="font-size: 12px;font-family: Arial Narrow;padding:2px 0 2px 0;">------------------ Original ------------------</div><div style="font-size: 12px;background:#efefef;padding:8px;"><div><b>From: </b> "delamora";<delamora@unam.mx>;</div><div><b>Date: </b> Fri, Jul 25, 2014 04:10 AM</div><div><b>To: </b> "A Mailing list for WIEN2k users"<wien@zeus.theochem.tuwien.ac.at>; <wbr></div><div></div><div><b>Subject: </b> Re: [Wien] dos of bcc iron</div></div><div><br></div>
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<p>Sometimes you have to increase the emax in case.in1<br>
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<p>K-VECTORS FROM UNIT:4 -7.0 ***2.5*** 13 red emin/emax/nband<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 ding <dingmingcui@qq.com><br>
<b>Enviado:</b> jueves, 24 de julio de 2014 03:54 a.m.<br>
<b>Para:</b> wien2klist<br>
<b>Asunto:</b> [Wien] dos of bcc iron</font>
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<div>Dear all
<div> I am calculating the density of states of the bcc iron, the lattice parameter is 5.416902 Bohr, the space group is NO. 229, the problem I encoutered is that when calculating the density of states, the plotted range of energy is alway less than the Fermi
level, <span id="_editor_bookmark_start_0" style="line-height:0px"></span></div>
<div>I see in the case.int file that the Emax is lager than the Fermi level, could someone help me to see why the <span style="line-height:1.5">plotted range of energy is less than the Fermi level? <span id="_editor_bookmark_start_1" style="line-height:0px"></span></span></div>
<div>Thanks a lot</div>
<div>Mingcui </div>
<div>Tongji universigy China</div>
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