mp-677222/Ba3La3Ti4NbO18/harm

Harmonic properties

../../_images/fig_bandos_pr5107.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7230.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5107.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24912.png

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

Summary

../../_images/fig_times9135.png

(a) Computation time