mp-12286-2/Sr2Ta2O7/harm

Harmonic properties

../../_images/fig_bandos_pr15593.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20002.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15592.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215188.png

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

Summary

../../_images/fig_times25757.png

(a) Computation time