mp-779525-2/Li3Sb3P8O29/harm

Equation of state

../../_images/fig_bm978.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2209.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2329.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2209.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22030.png

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

Summary

../../_images/fig_times3440.png

(a) Computation time