mp-23150-2/CS2NClO2/harm

Harmonic properties

../../_images/fig_bandos_pr12917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17303.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12917.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212613.png

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

Summary

../../_images/fig_times21858.png

(a) Computation time