mp-27553/Ta2SnO7/harm

Equation of state

../../_images/fig_bm5955.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12140.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16242.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12140.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211841.png

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

Summary

../../_images/fig_times20572.png

(a) Computation time