Re: [Phonopy-users] amplitude of eigenmode
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From: Atsushi T. <atz...@gm...> - 2012-09-19 09:25:45
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Hi, > Sir/Madam, > In the description of eigenvector, it say "Cartesian axes in the primitive > cell". What does it mean? Does it mean Cartesian axes or the > \vec{a},\vec{b},\vec{c}? Eigenvectors are obtained in Cartesian coordinates, and they are just written into files in phonopy. > What are the units used here? Is the amplitude of > the eigenmode the modulus of the eigenvector? The eigenvectors are calculated using numpy.linalg.eigh. http://docs.scipy.org/doc/numpy/reference/generated/numpy.linalg.eigh.html Each eigenvector is obtained as a column vector, and as written here, the array of column eigenvectors is unitary. Togo > > Thanks. > > > > Yundi > > ------------------------------------------------------------------------------ > Live Security Virtual Conference > Exclusive live event will cover all the ways today's security and > threat landscape has changed and how IT managers can respond. Discussions > will include endpoint security, mobile security and the latest in malware > threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > -- Atsushi Togo http://atztogo.users.sourceforge.net/ atz...@gm... |