<br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">physics phys</b> <span dir="ltr"><<a href="mailto:wien.phy@gmail.com">wien.phy@gmail.com</a>></span><br>Date: Wed, Aug 4, 2010 at 9:09 PM<br>
Subject: magnetic moment<br>To: <a href="mailto:wien-request@zeus.theochem.tuwien.ac.at">wien-request@zeus.theochem.tuwien.ac.at</a><br>Cc: <a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br>
<br><br>Dear Prof Blaha</div><div class="gmail_quote">My question is<br>for example <br>when i calculate magnetic moment using wien2k for XY4Z type of compond (5 independent atoms and total 12 atoms in unit cell)<br><br>suppose the magnetic moment reads<div>
<br><b>moment of X=1<br>momnet of Y=2<br>
momnet of Z= 3<br>total moment =18</b><br><br>(which is 3 x moment of X + 3 x moment of Y+ 3 x mommet of Z = 3 x 1 + 3x 2 +3x3 = 3 + 6+ 9)<br><br>Now, to compare an experimental magnetic moment for XY4Z = 3.<br><br>How can i compare? is it that i do 18 divided by 5(no of ind. atoms) = 3.6??? </div>
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