mp-556489/Ta2SnO6/harm

Equation of state

../../_images/fig_bm4321.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8540.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12002.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8540.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28301.png

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

Summary

../../_images/fig_times14985.png

(a) Computation time