omega2.out

This file contains the squared frequencies \(\omega^2(\boldsymbol{k})\) at different \(\boldsymbol{k}\)-points.

File format

There are N_kpoints rows and 3 * N_basis + 1 columns, where N_basis is the number of atoms in model.xyz, and N_kpoints is the number of k-points generated from high-symmetry points in the kpoints.in input file.

Each line corresponds to one \(\boldsymbol{k}\)-point. Each line contains 3 * N_basis + 1 numbers, the first column represents the relative distance along the high-symmetry path, while the remaining columns correspond to the 3 * N_basis values for \(\omega^2(\boldsymbol{k})\) (in units of THz²) in the order of increasing magnitude.