Dear Ghosh, 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?
Yours, Mohaddeseh 2010/2/10 Ghosh SUDDHASATTWA <ssghosh at igcar.gov.in> > 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. > > The case.d45 can be easily generated by PHONON for TiC as is given in the > manual for Wien2k and PHONON. > > > > > > > ------------------------------ > > *From:* wien-bounces at zeus.theochem.tuwien.ac.at [mailto: > wien-bounces at zeus.theochem.tuwien.ac.at] *On Behalf Of *mohaddeseh > abbasnejad > *Sent:* Tuesday, February 09, 2010 6:33 PM > *To:* wien at zeus.theochem.tuwien.ac.at > *Subject:* [Wien] phonon calculation > > > > Dear all, > > I want to calculate phonons based on forces calculated by WIEN2k. I tried > to use phonon software by Parlinski. > So I installed DemoPhonon, ver. 3.11 on Windows xp and run it. > Unfortunately, the case.d45 file which is required to use in WIEN2k, > doesn't generate. > Would you please help me what I should do? > Thanks in advance. > > Yours, > Mohaddeseh > > -- > --------------------------------------------------------- > > Mohaddeseh Abbasnejad, > Room No. 323, Department of Physics, > University of Tehran, North Karegar Ave., > Tehran, P.O. Box: 14395-547- IRAN > Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 > Cellphone: +989177317514 > E-Mail: m.abbasnejad at gmail.com > Website: http://physics.ut.ac.ir > > --------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- --------------------------------------------------------- Mohaddeseh Abbasnejad, Room No. 323, Department of Physics, University of Tehran, North Karegar Ave., Tehran, P.O. Box: 14395-547- IRAN Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 Cellphone: +989177317514 E-Mail: m.abbasnejad at gmail.com Website: http://physics.ut.ac.ir --------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100210/5fe8d6ec/attachment.htm>