mp-769271/Sr4Ta2O9/harm

Harmonic properties

../../_images/fig_bandos_pr2660.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3228.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2660.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22481.png

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

Summary

../../_images/fig_times4434.png

(a) Computation time