mp-13630-2/Rb3NaBe2F8/harm

Equation of state

../../_images/fig_bm7473.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14915.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19280.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14915.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214532.png

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

Summary

../../_images/fig_times24730.png

(a) Computation time