mp-555007/Rb4V5CdClO15/harm

Harmonic properties

../../_images/fig_bandos_pr8814.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12422.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8814.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28575.png

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

Summary

../../_images/fig_times15459.png

(a) Computation time