mp-680154/Rb2TiGe3O9/harm

Harmonic properties

../../_images/fig_bandos_pr5146.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7338.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5146.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24951.png

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

Summary

../../_images/fig_times9252.png

(a) Computation time