mp-680170/Cs2Ti2S9/harm

Harmonic properties

../../_images/fig_bandos_pr5147.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7339.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5147.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24952.png

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

Summary

../../_images/fig_times9253.png

(a) Computation time