mp-40873/Ba3Na2Ti3Nb2O15/harm

Harmonic properties

../../_images/fig_bandos_pr10298.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14251.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10298.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210048.png

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

Summary

../../_images/fig_times17798.png

(a) Computation time