<html><body><div style="color:#000; background-color:#fff; font-family:tahoma, new york, times, serif;font-size:14pt"><div><span>first you try to make this structure in vista by using these only coordinate. is It okey? </span></div><div></div><div> </div><div>************************************************************************************************************************************ Rakesh Kumar Tiwari, PhD <br><br></div><div>Assist. Professor<br>Department of Physics<br>Deen Dayal Upadhyay Gorakhpur University<br>Gorakhpur, 273009<br>U.P. India.<br><br> <div style="font-family: tahoma, 'new york', times, serif; font-size: 14pt;"> <div style="font-family:
'times new roman', 'new york', times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> zafar rasheed <zafartariq2003@yahoo.com><br> <b><span style="font-weight: bold;">To:</span></b> wien@zeus.theochem.tuwien.ac.at <br> <b><span style="font-weight: bold;">Sent:</span></b> Friday, January 11, 2013 4:33 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> [Wien] ROTODEF error<br> </font> </div> <br>
<div id="yiv828811374"><table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit;">Dear All <br><br>I am using WIEN2K version 9. I want to do some electronic mechanical calculations of ZnO (zinc blend phase) wit some other metallic defects using 4 Zinc atoms 2 O atoms and 2 S atoms. In this process I use P as lattice type and take <span style="color:rgb(255, 0, 127);">Zn at 0.0 0.0 0.0 0.5 0.5 0.0 0.5 0.0 0.5 0.0 0.5 0.5 </span><br style="color:rgb(255, 0, 127);"><span style="color:rgb(255, 0, 127);"> O 0.25 0.25 0.25 0.75 0.75 0.25</span><br style="color:rgb(255, 0, 127);"><span style="color:rgb(255, 0,
127);"> S 0.75 0.25 0.75 0.25 0.75 0.75</span><br><br>But it gives warning when we go at VIEWOUTPUTSGROUP and says that your lattice type changed which is not my required structure file. When I proceed with above structure an error <span style="color:rgb(64, 64, 255);">ROTDEF error occurs</span>.<br><br>May some body helps me to resolve this problem.<br><br>Muhammad Zafar<br>
PhD Scholar<br>
Department of Physics<br>
The Islamia University of Bahawalpur,Pakistan</td></tr></tbody></table></div><br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br><br> </div> </div> </div></div></body></html>