[Pw_forum] phonon modes identification
yuwen_66 at yahoo.com
Mon Dec 13 04:50:19 CET 2004
Dear all, I am doing some phonon calculations. I hope
to know which irreducible representation corresponds
to which mode. In doing so, it seems I have to look at
the eigenvectors of the specific mode. But the
eigenvectors given in the Dyn files are complex
numbers. Then what should I do to accomplish my goal?
Plus, the eigenvectors are given in cartesian
coordinates, I hope to know how is this coordinate
system chosen? Does it influence the analysis of the
Do you Yahoo!?
Take Yahoo! Mail with you! Get it on your mobile phone.
More information about the users