mp-1103389/Sr3Ta2ZnO9/harm

Harmonic properties

../../_images/fig_bandos_pr16574.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20952.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16573.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216149.png

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

Summary

../../_images/fig_times27119.png

(a) Computation time