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<p><font face="Times New Roman">Maybe they are saying that by using
the MULTI values given in case.struct:<br>
<br>
:MMTOT = :MMI002*MULTI_Fe + :MMI001*MULTI_Y + :MMINT [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16320.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16320.html</a>
]<br>
<br>
:MMTOT = 2.11118*4 + (-0.31749*2) + (-0.98948) = 6.82026 (same
as MMTOT but to 4 places after the decimal point that is likely
due to a bit of rounding error)</font><br>
</p>
<br>
<div class="moz-cite-prefix">On 2/24/2018 4:27 PM, Víctor Luaña
Cabal wrote:<br>
</div>
<blockquote type="cite"
cite="mid:20180224232707.GY7522@fluor.quimica.uniovi.es">
<pre wrap="">On Sat, Feb 24, 2018 at 11:46:06PM +0000, Badis Bennecer wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Hi
It looks like the total magnetic moment in the cell, with Z=2 (unit cell defined in your case.structure)
(( 2.11118*2)*2+(-0.31749*2)+( -0.98948)= 8,4472-0,63498--0.98948=6,82274 (unity)
</pre>
</blockquote>
<pre wrap="">
Dear Badis,
Sorry, but I don't even recognize the computer languaje in which your
answer is written.
Can you clarify that point for me?
Is the "--" a misprint? Same thing for the odd number of parenthesis?
Best regards,
Víctor Luaña
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</blockquote>
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