mp-755289/Li3Y3ZrO8/harm

Harmonic properties

../../_images/fig_bandos_pr3672.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4902.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3672.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23489.png

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

Summary

../../_images/fig_times6383.png

(a) Computation time