I think it depends on how you dope the system and the structure of the system. If you don't mind, could you pls share the input. <br clear="all">--------------------------------------------------<br>Duy Le<br>PhD Student<br>
Department of Physics<br>University of Central Florida.<br><br>"Men don't need hand to do things"<br>
<br><br><div class="gmail_quote">2009/10/27 Q.J.Wang <span dir="ltr"><<a href="mailto:wangqj1@126.com">wangqj1@126.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div>Dear all</div>
<div> When I use 'relax ' to optimize the geometry of a doped system ,but the total magnetization of AFM equal to 1 or -1 Bohr mag/cell ,but not to 0 .I think it should equal to 0. So I want to know whether the result credible or not ? If not credible ,what I should do to improve it ?<br>
<br></div>
<div><br>--<br>
<div>Best regards</div>
<div> </div>
<div>Q.J.Wang</div>
<div> </div>
<div>XiangTan University </div></div><br><br><span title="neteasefooter"></span><hr>
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