mp-1419-2/S5N6/harm

Harmonic properties

../../_images/fig_bandos_pr176.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos191.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo176.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2167.png

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

Summary

../../_images/fig_times290.png

(a) Computation time