mp-13614/Rb2Be3Cd2F12/harm

Harmonic properties

../../_images/fig_bandos_pr14911.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19275.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14911.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214528.png

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

Summary

../../_images/fig_times24725.png

(a) Computation time