mp-542012/Rb4Hf3S14/harm

Harmonic properties

../../_images/fig_bandos_pr9280.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13005.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9280.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29042.png

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

Summary

../../_images/fig_times16169.png

(a) Computation time