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<div class="moz-cite-prefix">As the error tells you, beta should be
90 not 116.641
[<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-January/012393.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-January/012393.html</a>].<br>
<br>
Maybe you have put values for the wrong setting. In Wien2k, you
have to input the values for the B112/m setting
[<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2013-September/019819.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2013-September/019819.html</a>].<br>
<br>
On 11/7/2013 4:00 AM, kalsoom Khan wrote:<br>
</div>
<blockquote
cite="mid:1383822053.66585.YahooMailNeo@web163101.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:12pt">
<div>Dear All</div>
<div>i possess some problem in making the structure file for the
monoclinic symetry for the space group 12. I put the correct
valves but i get this <br>
</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida
Grande,sans-serif; background-color: transparent; font-style:
normal;"><br>
</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida
Grande,sans-serif; background-color: transparent; font-style:
normal;">error: beta = 116.641000 and not equal 90. Exiting
now.<br>
diff: Hg3S2Bi2Cl6.outputsgroup: No such file or directory<br>
diff: Hg3S2Bi2Cl6.outputsgroup1: No such file or directory<br>
error: beta = 116.641000 and not equal 90. Exiting now.<br>
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>
error: command /home/azam1/WIEN2k111-lopw/sgroup -wi
Hg3S2Bi2Cl6.struct -wo Hg3S2Bi2Cl6.struct_sgroup
-set-TOL=0.00001 failed</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida
Grande,sans-serif; background-color: transparent; font-style:
normal;"><br>
</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida
Grande,sans-serif; background-color: transparent; font-style:
normal;"><br>
so what should i do, please help me.</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida
Grande,sans-serif; background-color: transparent; font-style:
normal;">with regards</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida
Grande,sans-serif; background-color: transparent; font-style:
normal;">Kalsoom<br class="">
</div>
</div>
</blockquote>
<br>
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