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<p style="margin-top: 0px; margin-bottom: 0px;">Hi</p>
<p style="margin-top: 0px; margin-bottom: 0px;">It looks like the total magnetic moment in the cell, with Z=2 (unit cell defined in your case.structure)<br>
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<p style="margin-top: 0px; margin-bottom: 0px;"><span>(( 2.11118*2)*2+(<span>-0.31749</span>*2)+(<span> -0.98948</span>)=
<span>8,4472</span>-<span>0,63498</span>-<span>-0.98948</span>=<span>6,82274 (unity)</span></span></p>
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<div id="Signature">________________________<br>
Prof. B. Bennecer<br>
Physics Laboratory of Guelma<br>
Faculty of Mathematics and Computing and Material Sciences<br>
University 8 Mai 1945 Guelma<br>
PO Box 401<br>
Guelma 24000<br>
Algeria<br>
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<div id="divRplyFwdMsg" dir="ltr"><font color="#000000" face="Calibri, sans-serif" style="font-size: 11pt;"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Sherif Yehia <wien542002@yahoo.com><br>
<b>Sent:</b> Saturday, February 24, 2018 6:29 PM<br>
<b>To:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Subject:</b> Re: [Wien] Wien Digest, Vol 147, Issue 4</font>
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<div id="x_yui_3_16_0_ym19_1_1519496349582_2794"><span id="x_yui_3_16_0_ym19_1_1519496349582_4112">Dear Users
<br>
</span></div>
<div id="x_yui_3_16_0_ym19_1_1519496349582_4113"><span id="x_yui_3_16_0_ym19_1_1519496349582_4112"><br>
</span></div>
<div id="x_yui_3_16_0_ym19_1_1519496349582_4131" dir="ltr"><span id="x_yui_3_16_0_ym19_1_1519496349582_4112"> In calculating YFe2 I got this result for the moment as follows
<br>
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<div id="x_yui_3_16_0_ym19_1_1519496349582_4098"><span><br>
</span></div>
<div id="x_yui_3_16_0_ym19_1_1519496349582_4132"><span></span></div>
<div class="x_qtdSeparateBR" id="x_yui_3_16_0_ym19_1_1519496349582_4043">SPIN MAGNETIC MOMENTS OF MIXED CHARGE DENSITY<br id="x_yui_3_16_0_ym19_1_1519496349582_4093">
:MMINT: MAGNETIC MOMENT IN INTERSTITIAL = -0.98948<br id="x_yui_3_16_0_ym19_1_1519496349582_4094">
:MMI001: MAGNETIC MOMENT IN SPHERE 1 = -0.31749<br id="x_yui_3_16_0_ym19_1_1519496349582_4095">
:MMI002: MAGNETIC MOMENT IN SPHERE 2 = 2.11118<br id="x_yui_3_16_0_ym19_1_1519496349582_4096">
<div id="x_yui_3_16_0_ym19_1_1519496349582_4097" dir="ltr">:MMTOT: SPIN MAGNETIC MOMENT IN CELL = 6.82028</div>
<div id="x_yui_3_16_0_ym19_1_1519496349582_4202" dir="ltr"><br>
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<div id="x_yui_3_16_0_ym19_1_1519496349582_4216" dir="ltr"><font size="5">Can I ask is the </font>
<font id="x_yui_3_16_0_ym19_1_1519496349582_4436" size="5">MMTOT </font> <font id="x_yui_3_16_0_ym19_1_1519496349582_4410" size="5">
per formula unit </font><br>
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<div id="x_yui_3_16_0_ym19_1_1519496349582_4259" dir="ltr"><br>
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<div id="x_yui_3_16_0_ym19_1_1519496349582_4286" dir="ltr">Thank you<br>
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