mp-27650/RbB10H9/harm

Harmonic properties

../../_images/fig_bandos_pr12174.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16287.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12174.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211874.png

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

Summary

../../_images/fig_times20628.png

(a) Computation time