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<p>You can enlarge the cell with "supercell" and then you will have more atoms of the same kind so you can replace half for the other atom.</p>
<p>The problem is that it will be replaced in an ordered way<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-bounces@zeus.theochem.tuwien.ac.at <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de wasim raja Mondal <wasimr.mondal@gmail.com><br>
<b>Enviado:</b> domingo, 1 de noviembre de 2015 03:51 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users<br>
<b>Asunto:</b> [Wien] disorder structure calculation</font>
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<div>Dear users and experts,<br>
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I am dealing with structure where two atoms can occupy at same position because of disorder. Atomic position in the unite cell is given below:<br>
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Se Se 0.00 0.3582 0.241<br>
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Sb1 Sb 0.00 0.1183 0.259<br>
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T11 Tl 0.00 0.1183 0.259<br>
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Do you have any suggestion how can I give position in the wien2k structure file?<br>
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Regards<br>
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wasim<br>
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