mp-779589-2/Na3Sb5O14/harm

Equation of state

../../_images/fig_bm985.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2217.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2343.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2217.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22038.png

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

Summary

../../_images/fig_times3455.png

(a) Computation time