mp-558514-2/RbZrCdF7/harm

Equation of state

../../_images/fig_bm4127.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8036.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11297.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8036.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27798.png

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

Summary

../../_images/fig_times14163.png

(a) Computation time