mp-1120744/S3N2/harm

Harmonic properties

../../_images/fig_bandos_pr16088.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20507.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16087.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215683.png

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

Summary

../../_images/fig_times26456.png

(a) Computation time