mp-27699-2/S3N2Cl2/harm

Harmonic properties

../../_images/fig_bandos_pr11866.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15891.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11866.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211577.png

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

Summary

../../_images/fig_times20129.png

(a) Computation time