mp-1079600/Cs2S3/harm

Harmonic properties

../../_images/fig_bandos_pr16939.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21250.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16938.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216491.png

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

Summary

../../_images/fig_times27616.png

(a) Computation time