mp-16911/Rb2S5/harm

Harmonic properties

../../_images/fig_bandos_pr14122.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18517.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14122.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213750.png

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

Summary

../../_images/fig_times23624.png

(a) Computation time