mp-13630/Rb3NaBe2F8/harm

Harmonic properties

../../_images/fig_bandos_pr14914.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19279.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14914.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214531.png

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

Summary

../../_images/fig_times24729.png

(a) Computation time