[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 


		
__________________________________ 
Do you Yahoo!? 
Take Yahoo! Mail with you! Get it on your mobile phone. 
http://mobile.yahoo.com/maildemo 



More information about the users mailing list