mp-27189/Si3Cl8/harm

Harmonic properties

../../_images/fig_bandos_pr12275.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16463.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12275.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211974.png

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

Summary

../../_images/fig_times20829.png

(a) Computation time