mp-779589/Na3Sb5O14/harm

Harmonic properties

../../_images/fig_bandos_pr2216.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2342.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2216.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22037.png

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

Summary

../../_images/fig_times3454.png

(a) Computation time