[Wien] Fwd: magnetic moment

[Gerhard Fecher]

interesting
you have XY4Z and the sum is 5 atoms ?????
and what is the relation between XY4Z and your caölculus in () X_3 Y_3  Z_3 (9 atoms)

indeed if one divides 18 by 9 one has 2
you may calculate as exercise: 18 / 6 = ?

So what ?????????

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "physics phys [wien.phy at gmail.com]
Gesendet: Mittwoch, 4. August 2010 17:42
Bis: wien-request at zeus.theochem.tuwien.ac.at
Cc: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Fwd: magnetic moment

---------- Forwarded message ----------
From: physics phys <wien.phy at gmail.com<mailto: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<mailto:wien-request at zeus.theochem.tuwien.ac.at>
Cc: wien at zeus.theochem.tuwien.ac.at<mailto: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???