mp-1020711/Rb2SiS6O21/harm

Harmonic properties

../../_images/fig_bandos_pr128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos160.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo128.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2127.png

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

Summary

../../_images/fig_times224.png

(a) Computation time