mp-626721/RbHO/harm

Harmonic properties

../../_images/fig_bandos_pr5806.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5806.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc25602.png

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

Summary

../../_images/fig_times10565.png

(a) Computation time