mp-9191-2/Na3SbTe3/harm

Equation of state

../../_images/fig_bm488.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1387.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1302.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1387.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21241.png

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

Summary

../../_images/fig_times2085.png

(a) Computation time