<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><br><br>--<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><div id="yiv686923549"><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit; font-style: inherit; font-variant: inherit; font-weight: inherit; font-size: inherit; line-height: inherit; font-size-adjust: inherit; font-stretch: inherit; -x-system-font: none;" valign="top"><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><div id="yiv686923549"><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit; font-style: inherit; font-variant: inherit; font-weight: inherit; font-size: inherit; line-height: inherit; font-size-adjust: inherit; font-stretch: inherit;" valign="top"><br><blockquote style="border-left: 2px solid rgb(16, 16, 255);
margin-left: 5px; padding-left: 5px;"><br><div id="yiv686923549"><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit; font-style: inherit; font-variant: inherit; font-weight: inherit; font-size: inherit; line-height: inherit; font-size-adjust: inherit; font-stretch: inherit;" valign="top">Dear Wien2k users, <br><br> <br>I
want to calculate the Antiferromagnetic for PrO2 I do these steps :<br><br><br>I use the supercell ; I find 8Atom (4Pr and 4O),init _lapw and in case. inst I changed I make the spin up and spin dn save (look the case .inst )and I continued I put Kgen 100 and I continued init_lapw in the end put runsp-lapw,this method is correct<br><br><br><br> case .inst <br>Pr<br>Xe 4 <br>4, 3,2.0 N<br>4, 3,0.0 N<br>4,-4,0.0 N<br>4,-4,0.0 N<br>5, 2,1.0 N<br>5, 2,0.0 N<br>6,-1,1.0 N<br>6,-1,1.0 N<br>Pr<br>Xe 4 <br>4, 3,0.0 N<br>4, 3,2.0 N<br>4,-4,0.0 N<br>4,-4,0.0 N<br>5, 2,0.0 N<br>5, 2,1.0 N<br>6,-1,1.0 N<br>6,-1,1.0 N<br>Pr<br>Xe 4 <br>4, 3,2.0 N<br>4, 3,0.0 N<br>4,-4,0.0 N<br>4,-4,0.0 N<br>5, 2,1.0 N<br>5, 2,0.0 N<br>6,-1,1.0 N<br>6,-1,1.0 N<br>Pr<br>Xe
4 <br>4, 3,0.0 N<br>4, 3,2.0 N<br>4,-4,0.0 N<br>4,-4,0.0 N<br>5, 2,0.0 N<br>5, 2,1.0 N<br>6,-1,1.0 N<br>6,-1,1.0 N<br>O<br>He 3 <br>2,-1,1.0 N<br>2,-1,1.0 N<br>2, 1,1.0 N<br>2, 1,1.0 N<br>2,-2,2.0 N<br>2,-2,0.0 N<br>O<br>He 3 <br>2,-1,1.0 N<br>2,-1,1.0 N<br>2, 1,1.0 N<br>2, 1,1.0 N<br>2,-2,0.0 N<br>2,-2,2.0 N<br>O<br>He 3 <br>2,-1,1.0 N<br>2,-1,1.0 N<br>2, 1,1.0 N<br>2, 1,1.0 N<br>2,-2,2.0 N<br>2,-2,0.0 N<br>O<br>He 3 <br>2,-1,1.0 N<br>2,-1,1.0 N<br>2, 1,1.0 N<br>2, 1,1.0 N<br>2,-2,0.0 N<br>2,-2,2.0 N<br>****<br>*<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;">thanks <div id="yiv686923549"><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit;
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