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<div class="moz-cite-prefix">If you search the mailing list archive,
you should find that the error is commonly caused by rounding
problems in the atomic positions:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07944.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07944.html</a><br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06624.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06624.html</a><br>
<br>
If you send the struct file, someone might be able to help you
further.<br>
<br>
On 4/4/2015 8:26 AM, ben amara imen wrote:<br>
</div>
<blockquote
cite="mid:CACAZvno9juBCKv8KbN7QoWTRQhndBZ5+egc-jQqFE+wD5YWC1A@mail.gmail.com"
type="cite">
<div dir="ltr">Dear All,
<div><br>
</div>
<div><br>
</div>
<div>my struct file includes 2 atoms</div>
<div><br>
</div>
<div>I do Initialization step on WIEN2k (2009) and it is ok </div>
<div><br>
</div>
<div>I do again the same step on WIEN2k-11.1 , I have this
problem :</div>
<div><br>
</div>
<div><b><u>when runing x symmetry, this message is shown: <font
size="4">2 missing</font> </u></b></div>
<div><br>
</div>
<div>I understood that the second atom is not found , even it
is eliminated from struct.file</div>
<div>what can I do ?</div>
<div><br>
</div>
<div>Thank in advance</div>
<div>Best</div>
</div>
</blockquote>
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