mp-758894/Li2TiTe3O12/harm

Harmonic properties

../../_images/fig_bandos_pr3014.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3858.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3014.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22834.png

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

Summary

../../_images/fig_times5159.png

(a) Computation time