mp-31039/Rb6Te2O9/harm

Harmonic properties

../../_images/fig_bandos_pr10710.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14624.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10710.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210443.png

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

Summary

../../_images/fig_times18373.png

(a) Computation time