mp-676286-2/Zr4CdO9/harm

Harmonic properties

../../_images/fig_bandos_pr5296.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7569.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5296.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25101.png

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

Summary

../../_images/fig_times9534.png

(a) Computation time