mp-540795/Ba3SrTa2O9/harm

Harmonic properties

../../_images/fig_bandos_pr9723.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13598.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9723.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29482.png

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

Summary

../../_images/fig_times16913.png

(a) Computation time