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<p>There is a discussion about this in the WIEN in December 1:<br>
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<p>"<span style="color: rgb(51, 51, 51); font-family: wf_segoe-ui_normal, 'Segoe UI', 'Segoe WP', Tahoma, Arial, sans-serif; font-size: 17.1428565979004px; background-color: rgb(255, 255, 255);">What's the crystal structure of NaCl in antiferromagnetic calculation</span>"<br>
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<p><a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11525.html" id="lnk568758">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11525.html</a><br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>De:</b> wien-bounces@zeus.theochem.tuwien.ac.at <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de Abed Reg <jazairdz@gmail.com><br>
<b>Enviado:</b> martes, 23 de diciembre de 2014 09:55 a. m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Asunto:</b> [Wien] RE How to do the different magnetic calculation for a material (for example:NiO)</font>
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<div>I want to do a magnetic calculation for the NiO in NaCl structure.<br>
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I know how to do a ferromagnetic calculation and I know that the antiferromagnetic calculation need to use supercell but how to do that?<br>
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I want to do a paramagnetic calculation but I don't know how to do it and as dr Blaha said that a paramagnetic calculation is not a non magnetic one.<br>
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I want also to do a diamagnetic calculation if it's possible.<br>
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Thanks <br clear="all">
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<div><font><span style="color:rgb(0,0,255)">Mr: A.Reggad</span>
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<span style="background-color:rgb(238,238,238)"><span style="color:blue">Laboratoire de Génie Physique</span></span><br>
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<font><span style="color:rgb(0,0,255)">Université Ibn Khaldoun - Tiaret</span><br>
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<div><font><span style="font-family:monospace"><span style="color:rgb(0,0,255)">Algerie</span></span></font><br>
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