[Wien] phonon calculation

[Peter Blaha]

Maybe DEMO-PHONON cannot do it. I have no idea about it.

In case you don't want to pay for the fairly expensive PHONON program,
there are similar tools in public domain.
There is D.Alfe PHON program  (see our "unsupported software" section)
and there is also a program by a Japanese group which should have an
interface to WIEN2k (sorry, I forgot the name).

mohaddeseh abbasnejad schrieb:
> 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 <mailto:m.abbasnejad at gmail.com>
> Website:  http://physics.ut.ac.ir
> 
> ---------------------------------------------------------
> 
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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