mp-540949/Ba3SrNb2O9/harm

Harmonic properties

../../_images/fig_bandos_pr9441.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9441.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc29203.png

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

Summary

../../_images/fig_times16431.png

(a) Computation time