mp-774797/Li2Ti3ZnO8/harm

Harmonic properties

../../_images/fig_bandos_pr2429.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2848.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2429.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22250.png

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

Summary

../../_images/fig_times3986.png

(a) Computation time