HeatherC

I want to know the overlap between two Bloch wave functions. I know that ELK does print out the |\psi|^2 for each wf at each k point. However, I will need the phase of the wave functions to actually perform the integral to find the overlap. I think I can hack the code to do this. Does anyone know what quantity I should look into? Any help is appreciated! Thanks! Heather

Followup: The vectors are the eigenvectors of the scaled Dynamical matrix, and in Cartesian coordinates. The polarization directions are also in x, y, z directions.

Dear all, I would like to know whether the phonon eigenvectors written in PHONON.OUT are in Cartesian coordinates or in lattice coordinates. Also, what are the polarization directions written in terms of? The x, y, z directions, or lattice vectors a, b, c directions? Thanks in advance for any help! Heather