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<p>If it exists then you can take an alternative path;</p>
<p>you have an F cell</p>
<p>With supercell you make a 2x2x2 cell and save it as F</p>
<p>In Struct Gen you add the coordinates of the Ni atoms if it is an integer then you put "1" in the next space after Ni, for example</p>
<p>the coordinates are</p>
<p>.75 0.0 0.25 => 1 </p>
<p><span>.25 0.0 0.25 => 0.5</span></p>
<p><span>then SGroup will change the cell to a trigonal cel with two Ni and two S, so you can put Ni up and Ni dn</span><br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de delamora <delamora@unam.mx><br>
<b>Enviado:</b> sábado, 16 de septiembre de 2017 02:24:22 p. m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Asunto:</b> Re: [Wien] The magnetic structure for zinc blende non magnetic structure</font>
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<p>I searched for the NiS structure with Zincblende structure and I did not find it</p>
<p>Does it exist?<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" color="#000000" face="Calibri, sans-serif"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de Abderrahmane Reggad <jazairdz@gmail.com><br>
<b>Enviado:</b> viernes, 15 de septiembre de 2017 04:49 a. m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Asunto:</b> [Wien] The magnetic structure for zinc blende non magnetic structure</font>
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<div dir="ltr">Dear Delamora and wien users
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<div>In a previous post about the magnetic structure of the non magnetic NaCl structure of NiO, Dr Delamora provided us in detail how to get this magnetic structure (
<a href="https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11519.html" id="LPlnk183158" previewremoved="true">
https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11519.html</a> ).</div>
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<div>Now I need the magnetic structure for the zinc blende phase (non magnetic phase) of NiS with lattic parameter a= 5.12 A.</div>
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<div>Best regards</div>
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