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<p class=MsoNormal><font size=2 face=Arial><span style='font-size:11.0pt;
font-family:Arial'>Use <st1:place w:st="on"><st1:City w:st="on">Bilbao</st1:City></st1:place>
server and the SETSTRU program to change your settings from C2/m to B2/m.
Export the cif file to Wien2k struct file. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:11.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:11.0pt;
font-family:Arial'>Cheers <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:11.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:11.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'> wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b><span style='font-weight:
bold'>On Behalf Of </span></b>yedu kondalu<br>
<b><span style='font-weight:bold'>Sent:</span></b> Wednesday, November 30, 2011
11:07 AM<br>
<b><span style='font-weight:bold'>To:</span></b>
wien@zeus.theochem.tuwien.ac.at<br>
<b><span style='font-weight:bold'>Cc:</span></b> <st1:PersonName w:st="on"><st2:GivenName
w:st="on">Ganapathy</st2:GivenName> <st2:Sn w:st="on">Vaitheeswaran</st2:Sn></st1:PersonName><br>
<b><span style='font-weight:bold'>Subject:</span></b> [<st2:Sn w:st="on">Wien</st2:Sn>]
Regarding monoclinic space group (C2/m)</span></font><o:p></o:p></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal style='margin-bottom:12.0pt'><font size=3
face="Times New Roman"><span style='font-size:12.0pt'><br clear=all>
Dear Wien2k users,<br>
<br>
we are using
wien2k_11 version, in which the monoclinic space group 12 has only one space
group i.e B2/m, but our crystal structure belongs to C2/m (12) space group,
which is not available in this version of Wien2k. <br>
How to include the space group which we need ?? <br>
<br>
Thank you very in advance <br>
<br>
<br>
Regards<br>
Yedukondalu<br>
<br>
<o:p></o:p></span></font></p>
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