Dear All,
I`m using the fix phonon to generate the dynamical matrix of my system. I read the two papers wroten by Dr. King, which explain the mathematics behind the code, considering the explained mathematics I was expecting the output file containing a 3N*3N (N=Number of particles) dynamical matrix for a number of wave-vectors (q| 0,…,1). The output decomposes the wave vectors into x,y, and z and defines eighteen Phi(q) for each combination of qx,qy, and qz. I have a hard time correlating the explained mathematics with the output file of the fix and would appreciate an explanation.
Best regards,