mp-540995-2/Rb5Nb3OF18/harm

Equation of state

../../_images/fig_bm4722.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13225.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29212.png

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

Summary

../../_images/fig_times16445.png

(a) Computation time