mp-30004/Rb4Br2O/harm

Harmonic properties

../../_images/fig_bandos_pr11059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14988.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11059.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210783.png

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

Summary

../../_images/fig_times18889.png

(a) Computation time