mp-755559/LiNbO3/harm

Harmonic properties

../../_images/fig_bandos_pr3431.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4571.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3431.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23249.png

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

Summary

../../_images/fig_times5958.png

(a) Computation time