mp-706559/H3CSN2/harm

Harmonic properties

../../_images/fig_bandos_pr4459.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6267.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4459.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24272.png

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

Summary

../../_images/fig_times7956.png

(a) Computation time