<div>Hi Dear</div>
<div>I think you should choose NO when it asking you about </div>
<div>chenging the structure or space group.<br><br> </div>
<div><span class="gmail_quote">On 11/30/05, <b class="gmail_sendername">Benali Ben</b> <<a href="mailto:kanoun_benali@yahoo.fr">kanoun_benali@yahoo.fr</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div> Dear Stefan,<br><br>I have tried to replace case.struct by case.struct_nn, but still have a problem when I initialize.<br><br>In fact, the original case.struct, contain 12 inequivalent atoms, after changing it by case.struct_nn
it's contain 2 inequivalent atom. <br><br>When I try to re-intitliase the calculation, I have an error, it's says that my struct file is not correct for the appropriate space group.<br><br>What have to do. <br><br>best regards
<br><span class="ad"></span></div><span class="ad">
<p>
<hr size="1">
<b><font color="#ff0000">Appel audio GRATUIT</font> partout dans le monde</b> avec le nouveau Yahoo! Messenger<br><a onclick="return top.js.OpenExtLink(window,event,this)" href="http://us.rd.yahoo.com/messenger/mail_taglines/default/*http://fr.messenger.yahoo.com" target="_blank">
Téléchargez le ici !</a>
<p></p></p></span><br>_______________________________________________<br>Wien mailing list<br><a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at
</a><br><a onclick="return top.js.OpenExtLink(window,event,this)" 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></blockquote>
</div><br>