If an electron has negative Sz, its magnetic moment would be negative. Sz of majority spin electrons in your system is negative.<div>Just flip the molecule (system) 180o (change direction of z coordinate) you will get positive magnetic moments (but you don't have to). <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">On Sun, Aug 22, 2010 at 2:02 PM, Padmaja Patnaik <span dir="ltr"><<a href="mailto:padmaja_patnaik@yahoo.co.uk">padmaja_patnaik@yahoo.co.uk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit">Dear all<br>I have a doubt in the value obtained for local magnetic moment of the atoms. The pdos.out file, towards its end shows the value of polarization on each atom of the sample which gives us the value of local magnetic moment of each atom. Many of these values are found to be negative in my calculations. What does it mean? How can a magnetic moment value be negative?<br>
<br><br>Regards<br>Padmaja Patnaik<br>
Research Scholar<br>
Dept of Physics<br>
IIT Bombay<br>
Mumbai, India</td></tr></tbody></table><br>
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