<div dir="ltr">Dear Peter and Wien2k users, <br><br><span id="result_box" class="" lang="en"><span class="hps">I have always</span> <span class="hps">a problem</span> <span class="hps">in</span> <span class="hps">a</span> <span class="hps">supercell</span> <span class="hps">calculation</span> <span class="hps">in</span> <span class="hps">the case of</span> <span class="hps">space</span> <span class="hps">group</span> <span class="hps atn">225 (</span><span class="atn">Fm-</span><span class="">3m)</span><span>, it tells me</span> <span class="hps">the</span> <span class="hps">following error in x dstart:</span><br>
<br></span> &#39;ROTDEF&#39; - no symmetry operation found.<br> &#39;ROTDEF&#39; - for jatom, index  17  18                                           <br> &#39;ROTDEF&#39; - atomposition of jatom   0.1250000   0.1250000   0.2500000          <br>
 &#39;ROTDEF&#39; - atomposition of index   0.3750000   0.3750000   0.7500000          <br><br><span id="result_box" class="" lang="en"><br><span class="hps">there is a</span> <span class="hps">solution</span>? <span class="hps"><br>
Thank you</span> <span class="hps">in advance and </span><span class="hps">cordially</span></span><br><br clear="all"><br>-- <br><div dir="ltr"><font color="#ff0000" face="georgia, serif">Mourad BOUJNAH</font><div><font face="georgia, serif">PhD Student in </font><span style="font-family:georgia,serif">laboratory of magnetism and physics of high energy</span></div>
<div><font face="georgia, serif">Faculty of Sciences in Rabat - Morocco</font></div><div><font face="georgia, serif">Tel:</font> <font color="#3366ff" face="tahoma, sans-serif"><u>+212 </u></font><font color="#3366ff" face="tahoma, sans-serif"><u>677316706</u></font></div>
<div><font face="georgia, serif">Email: <u><font color="#3366ff"><a href="mailto:boujnah.mourad@gmail.com" target="_blank">boujnah.mourad@gmail.com</a></font></u></font></div></div><br>
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