D.out

This file contains the dynamical matrices \(D(\boldsymbol{k})\) at different \(\boldsymbol{k}\)-points.

File format

The file contains 3 * N_basis * N_kpoints rows and 6 * N_basis columns, where N_basis is the number of basis atoms in the unit cell defined in the basis.in input file and N_kpoints is the number of \(\boldsymbol{k}\)-points in the kpoints.in input file.

Each consecutive 3 * N_basis rows correspond to one \(\boldsymbol{k}\)-point. For each \(\boldsymbol{k}\)-point, the first 3*N_basis columns correspond to the real part and the second 3*N_basis columns correspond to the imaginary part. Schematically, the file is organized as:

D_real(k_0) D_imag(k_0)
D_real(k_1) D_imag(k_1)
...

The matrix elements are in units of eV Å\(^{-2}\) amu\(^{-1}\).