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<div class="moz-cite-prefix">You can try "x patchsymm"
[<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07063.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07063.html</a>].<br>
<br>
However, if it doesn't fix the problem, then it probably means
that your software conversion of the structure from SIESTA to
Wien2k failed. You would then likely need to look at your struct
file, identity what is wrong with it, and fix it in StructGen by
hand.<br>
<br>
On 12/16/2013 3:37 AM, Naseem Hassan wrote:<br>
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cite="mid:CAAKjmuv0=wHo=Dhg-PMerHkVzjRvZZeQ59+rKSeHLnHmdDrAfA@mail.gmail.com"
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<div>Respected Sir Gavin Abo<br>
<br>
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<div>I selected new generated structure file suggested by you
and Wien2k. <br>
<br>
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<div>I face the new error in initializing step as fallow,<br>
<br>
Commandline: <b>x symmetry </b><br>
Program input is: <b>""</b>
<br>
<br>
<pre> alpha(3) .lt. 89.8; reset to 90.1
ERROR: negative position in rstruc. Please report
0.000u 0.000s 0:00.04 0.0% 0+0k 1952+16io 6pf+0w
</pre>
<pre>Kindly suggest remedy
</pre>
<pre>Thank You</pre>
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