The omega2.out output file

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Purpose

This file contains the frequency square [math]\omega^2(\vec{k})[/math] at different k points.

File format

  • It has N_kpoints rows and 3 * N_basis columns, where N_basis is the number of basis atoms in the unit cell define in the basis.in file and N_kpoints is the number of k points in the kpoints.in file.
  • Each line corresponds to one k point. Each line has 3 * N_basis numbers, corresponding to

the 3 * N_basis values for [math]\omega^2(\vec{k})[/math] (in units of [THz]2) in the order of increasing magnitude.