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<p>Here you have a 0.0001Ry difference</p>
<p>I get a 0.003Ry/Cr difference between Cr ferromagnetic and antiferromagnetic, so my impression is that the difference that you are getting is not very relevant<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 Abderrahmane Reggad <jazairdz@gmail.com><br>
<b>Enviado:</b> jueves, 29 de diciembre de 2016 05:10:23 a. m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Asunto:</b> [Wien] Different convergences in Non-SP and SP methods</font>
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<div>Dear wien users<br>
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I have done the same calculation with 2 different and equivalent methods and they gave me different results as it's shown in the joined picture.<br>
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1- Non Spin Polarized calculation GGA using the command run_lapw<br>
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2- Spin Polarized calculation GGA using the command runsp_c_lapw<br>
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This difference in results becomes an origin of problem when wanting to determine the magnetic ground state<br>
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Best regards<br clear="all">
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<div><font size="2"><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 size="2"><span style="color:rgb(0,0,255)">Université Ibn Khaldoun - Tiaret</span><br>
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<div style="font-family:monospace"><font size="2" color="#0000ff">Adresse: BP 144 AL ATTAF AIN DEFLA</font></div>
<div style="font-family:monospace"><font size="2" color="#0000ff">Tel: +213(0)561861963</font></div>
<div><font size="2"><span style="font-family:monospace"><span style="color:rgb(0,0,255)">Algerie</span></span></font><br>
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