mp-695095/Ca19Si6S6Cl2O48/harm

Harmonic properties

../../_images/fig_bandos_pr4829.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6694.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4829.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24638.png

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

Summary

../../_images/fig_times8544.png

(a) Computation time