mp-540950/Ba3SrTa2O9/harm

Harmonic properties

../../_images/fig_bandos_pr9442.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9442.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc29204.png

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

Summary

../../_images/fig_times16432.png

(a) Computation time