[Wien] Fwd: magnetic moment

[physics phys]

---------- Forwarded message ----------
From: physics phys <wien.phy at gmail.com>
Date: Wed, Aug 4, 2010 at 9:09 PM
Subject: magnetic moment
To: wien-request at zeus.theochem.tuwien.ac.at
Cc: wien at zeus.theochem.tuwien.ac.at


Dear Prof Blaha
My question is
for example
when i calculate magnetic moment using wien2k for XY4Z type of compond (5
independent atoms and total 12 atoms in unit cell)

suppose the magnetic moment reads

*moment of X=1
momnet of Y=2
momnet of Z= 3
total moment =18*

(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)

Now, to compare an experimental magnetic moment for XY4Z = 3.

How can i compare? is it that i do 18 divided by 5(no of ind. atoms) =
3.6???
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