mp-556867/K2PrZrP3O12/harm

Harmonic properties

../../_images/fig_bandos_pr8318.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11701.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8318.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28080.png

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

Summary

../../_images/fig_times14617.png

(a) Computation time