mp-1080506/Sr2TaInO6/harm

Harmonic properties

../../_images/fig_bandos_pr16989.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21297.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16988.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216541.png

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

Summary

../../_images/fig_times27687.png

(a) Computation time