mp-567756/La2CN3Cl/harm

Harmonic properties

../../_images/fig_bandos_pr7202.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo7202.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc26970.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times12817.png

(a) Computation time