The phonon modes were computed considering the harmonic approximation by finite displacements of the atoms around their equilibrium positions to obtain the forces from the summation over the different configurations. The phonon dispersion curves along the direction of the Brillouin zone were then obtained using "Phonopy" interface code . The crystal structure sketches and charge density projections were generated using the VESTA graphics software . The electronic band structures and densities of states were obtained with the full-potential augmented spherical wave ASW method based on DFT using the same GGA scheme as above .