mp-3324-2/Nb2SnO6/harm

Equation of state

../../_images/fig_bm5349.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10887.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14798.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10887.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210613.png

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

Summary

../../_images/fig_times18626.png

(a) Computation time