mp-776510-2/Li3Sb3P8O29/harm

Equation of state

../../_images/fig_bm1103.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2294.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2605.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2294.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22115.png

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

Summary

../../_images/fig_times3733.png

(a) Computation time