k-points (kpoints.in)

This file is used to specify the k points needed for phonon calculations.

File format

The format of this file must be as follows:

kx(0) ky(0) kz(0)
kx(1) ky(1) kz(1)
kx(N_kpoints-1) ky(N_kpoints-1) kz(N_kpoints-1)

Here, * N_kpoints is the number of k points you want to consider. * The remaining lines give the k vectors (in units of 1/Å) you want to consider. * The user has to make sure that the k vectors are defined in the reciprocal space with respect to the unit cell chosen.