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<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>The demo version is only for Fm-3m space group. In case your system
belongs to this space group, I guess you can do it. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>The case.d45 can be easily generated by PHONON for TiC as is given in
the manual for Wien2k and PHONON. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><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>mohaddeseh abbasnejad<br>
<b><span style='font-weight:bold'>Sent:</span></b> Tuesday, February 09, 2010
6:33 PM<br>
<b><span style='font-weight:bold'>To:</span></b>
wien@zeus.theochem.tuwien.ac.at<br>
<b><span style='font-weight:bold'>Subject:</span></b> [<st1:Sn w:st="on">Wien</st1:Sn>]
phonon calculation</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'>Dear all,<br>
<br>
I want to calculate phonons based on forces calculated by WIEN2k. I tried to
use phonon software by Parlinski.<br>
So I installed DemoPhonon, ver. 3.11 on Windows xp and run it.<br>
Unfortunately, the case.d45 file which is required to use in WIEN2k, doesn't
generate.<br>
Would you please help me what I should do?<br>
Thanks in advance.<br>
<br>
Yours,<br>
Mohaddeseh<br clear=all>
<br>
-- <br>
---------------------------------------------------------<br>
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<st2:PersonName w:st="on"><st1:GivenName w:st="on">Mohaddeseh</st1:GivenName> <st1:Sn
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Room No. 323, Department of Physics, <br>
<st2:place w:st="on"><st2:PlaceType w:st="on">University</st2:PlaceType> of <st2:PlaceName
w:st="on">Tehran</st2:PlaceName></st2:place>, <st2:Street w:st="on"><st2:address
w:st="on">North Karegar Ave.</st2:address></st2:Street>,<br>
<st2:City w:st="on">Tehran</st2:City>, P.O. Box: 14395-547- <st2:country-region
w:st="on"><st2:place w:st="on">IRAN</st2:place></st2:country-region> <br>
<st2:PersonName w:st="on"><st1:GivenName w:st="on">Tel.</st1:GivenName> <st1:middlename
w:st="on">No.</st1:middlename></st2:PersonName>: +98 21 6111 8634 &
Fax No.: +98 21 8800 4781<br>
Cellphone: +989177317514<br>
E-Mail: <a href="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</a><br>
Website: <a href="http://physics.ut.ac.ir">http://physics.ut.ac.ir</a><br>
<br>
---------------------------------------------------------<o:p></o:p></span></font></p>
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