mp-735488/RbNa3Mo2H18O17/harm

Harmonic properties

../../_images/fig_bandos_pr4103.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5534.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4103.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23916.png

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

Summary

../../_images/fig_times7151.png

(a) Computation time