[Wien] phonon calculation

[Ghosh SUDDHASATTWA]

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. 

 

 

 

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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

-- 
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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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