mp-558514/RbZrCdF7/harm

Harmonic properties

../../_images/fig_bandos_pr8035.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11296.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8035.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27797.png

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

Summary

../../_images/fig_times14162.png

(a) Computation time