mp-36864/Li2TiO3/harm

Harmonic properties

../../_images/fig_bandos_pr10569.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14489.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10569.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210305.png

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

Summary

../../_images/fig_times18170.png

(a) Computation time