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<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>Herewith the <span class=GramE>structure file</span>
of the MgB2.struct. I hope it will be helpful<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal><span class=SpellE><font size=2 color=navy face=Arial><span
style='font-size:10.0pt;font-family:Arial;color:navy'>Alaa</span></font></span><font
size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'> S <span class=SpellE>Hamid</span><o:p></o:p></span></font></p>
<p class=MsoNormal><span class=SpellE><font size=2 color=navy face=Arial><span
style='font-size:10.0pt;font-family:Arial;color:navy'>Nanomaterials</span></font></span><font
size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'> group <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'>National Institute for Materials Science (NIMS)<o:p></o:p></span></font></p>
<p class=MsoNormal><span class=SpellE><font size=2 color=navy face=Arial><span
style='font-size:10.0pt;font-family:Arial;color:navy'>Namiki</span></font></span><font
size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'> 1-1, Tsukuba, Ibaraki-305-8573<o:p></o:p></span></font></p>
<p class=MsoNormal><st1:country-region><st1:place><font size=2 color=navy
face=Arial><span style='font-size:10.0pt;font-family:Arial;color:navy'>Japan</span></font></st1:place></st1:country-region><font
size=2 color=navy face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:navy'><o:p></o:p></span></font></p>
<p class=MsoNormal style='margin-left:.5in'><font size=2 face=Tahoma><span
style='font-size:10.0pt;font-family:Tahoma'>-----<span lang=AR-SA dir=RTL>الرسالة</span><span
dir=LTR></span><span lang=AR-SA><span dir=LTR></span> <span dir=RTL>الأصلية</span></span><span
dir=LTR></span><span dir=LTR></span>-----<br>
<b><span lang=AR-SA dir=RTL style='font-weight:bold'>من</span><span dir=LTR></span><span
dir=LTR></span>:</b> wien-admin@zeus.theochem.tuwien.ac.at
[mailto:wien-admin@zeus.theochem.tuwien.ac.at] <b><span lang=AR-SA dir=RTL
style='font-weight:bold'>بالنيابة</span><span dir=LTR></span><span lang=AR-SA><span
dir=LTR></span> <span dir=RTL>عن</span><span dir=LTR></span><span dir=LTR></span>
</span></b>Atul Agnihotri<br>
<span class=GramE><b><span lang=AR-SA dir=RTL style='font-weight:bold'>تاريخ</span></b></span><span
dir=LTR></span><b><span lang=AR-SA style='font-weight:bold'><span dir=LTR></span>
<span dir=RTL>الإرسال</span></span><span dir=LTR></span><span dir=LTR></span>:</b>
Friday, November 05, 2004 7:51 PM<br>
<b><span lang=AR-SA dir=RTL style='font-weight:bold'>إلى</span><span dir=LTR></span><span
dir=LTR></span>:</b> wien@zeus.theochem.tuwien.ac.at<br>
<span class=GramE><b><span lang=AR-SA dir=RTL style='font-weight:bold'>الموضوع</span></b></span><span
dir=LTR></span><b><span style='font-weight:bold'><span dir=LTR></span>:</span></b>
[Wien] MgB2 in Wien2k</span></font></p>
<p class=MsoNormal style='margin-left:.5in'><font size=3 face="Times New Roman"><span
style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p style='margin-left:.5in'><font size=3 face="Times New Roman"><span
style='font-size:12.0pt'> Dear All,<br>
I am new to Wien2K and I am trying with the system MgB2.Its space group is
191(P 6/mmm).I have used the position of Mg as (0,0,0) and of B as
(0.5,0.5,0.5).<br>
Am I correct? <br>
Have anybody tried with this system?Then plese give the case.struct file to me.<br>
<br>
Regards,<br>
Atul<o:p></o:p></span></font></p>
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style='font-size:12.0pt'><br>
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