The kpoints.in input file

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Purpose

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

File format

  • The format of this file must be as follows:
N_kpoints
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/A) you want to consider.

Tips

  • The user has to make sure that the k vectors are defined in the reciprocal space with respect to the unit cell chosen in the basis.in file.

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