mp-1020630/Rb2NaN3O9/harm

Harmonic properties

../../_images/fig_bandos_pr113.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos133.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo113.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2112.png

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

Summary

../../_images/fig_times193.png

(a) Computation time