Dear CASTEP users,
In my calculation of phonon dispersion by CASTEP, I found the branches were not connected by the matching of eigenvectors at adjacent points with no branch crossings. In order to avoiding that, I looked forward in
http://www.tcm.phy.cam.ac.uk/castep/Phonons_Guide/Castep_Phononsse12.html
, and then found the perl script “dispersion.pl” could match of eigenvectors at adjacent points and solve my problem. Does anyone have this perl or do you know what therory it bases on?
I will be very grateful for your response whatever the result will be.