mp-775484/Ba6Li2Ti16O39/harm

Harmonic properties

../../_images/fig_bandos_pr2448.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2885.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2448.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22269.png

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

Summary

../../_images/fig_times4028.png

(a) Computation time