[Pw_forum] phonon modes identification
W. YU
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
results? thanks
Wen Yu
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