mp-540995/Rb5Nb3OF18/harm

Harmonic properties

../../_images/fig_bandos_pr9450.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13224.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9450.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29211.png

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

Summary

../../_images/fig_times16444.png

(a) Computation time