[Wien] phonon calculation

[mohaddeseh abbasnejad]

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
>
> ---------------------------------------------------------
>
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>


-- 
---------------------------------------------------------

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

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