Dear Ghosh,<br><br>My system also belongs to this space group, but whatever I try, It is not possible for me. I have done the examples of PHONON. But it doesn't work for my case. Have you used it without any problem?<br>
<br>Yours,<br>Mohaddeseh<br><br><br><div class="gmail_quote">
2010/2/10 Ghosh SUDDHASATTWA <span dir="ltr"><<a href="mailto:ssghosh@igcar.gov.in" target="_blank">ssghosh@igcar.gov.in</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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<p class="MsoNormal"><font size="2" face="Times New Roman"><span style="font-size: 11pt;">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. </span></font></p>
<p class="MsoNormal"><font size="2" face="Times New Roman"><span style="font-size: 11pt;">The case.d45 can be easily generated by PHONON for TiC as is given in
the manual for Wien2k and PHONON. </span></font></p>
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<p class="MsoNormal"><b><font size="2" face="Tahoma"><span style="font-size: 10pt; font-family: Tahoma; font-weight: bold;">From:</span></font></b><font size="2" face="Tahoma"><span style="font-size: 10pt; font-family: Tahoma;">
<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a> [mailto:<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>]
<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>
<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a><br>
<b><span style="font-weight: bold;">Subject:</span></b> [Wien]
phonon calculation</span></font></p>
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<p class="MsoNormal"><font size="3" face="Times New Roman"><span style="font-size: 12pt;"> </span></font></p>
<p class="MsoNormal" style="margin-bottom: 12pt;"><font size="3" face="Times New Roman"><span style="font-size: 12pt;">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>
<br>
Mohaddeseh Abbasnejad, <br>
Room No. 323, Department of Physics, <br>
University of Tehran, North Karegar Ave.,<br>
Tehran, P.O. Box: 14395-547- IRAN <br>
Tel. No.: +98 21 6111 8634 &
Fax No.: +98 21 8800 4781<br>
Cellphone: +989177317514<br>
E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>
Website: <a href="http://physics.ut.ac.ir" target="_blank">http://physics.ut.ac.ir</a><br>
<br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>---------------------------------------------------------<br><br>Mohaddeseh Abbasnejad, <br>Room No. 323, Department of Physics, <br>University of Tehran, North Karegar Ave.,<br>
Tehran, P.O. Box: 14395-547- IRAN <br>Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781<br>Cellphone: +989177317514<br>E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>
Website: <a href="http://physics.ut.ac.ir" target="_blank">http://physics.ut.ac.ir</a><br>
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