[Wien] phonon calculation

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Feb 10 09:06:30 CET 2010


Thanks for the urls. This was the package I remembered.

I've added the links to our "unsupported" software list at www.wien2k.at

PS: I would be very interested in comments of users who have tested these
packages, comparing the features,advantages,... (in particular the free ones)


Atz Togo schrieb:
> I have implemented open source code similar to PHONON or PHON with a
> wien2k interface. Have a look at the following urls,
> http://phonopy.sourceforge.net/
> http://phonopy.sourceforge.net/run-phonopy.html
> 

-- 
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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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