mp-776021-2/Li4SbTe3O12/harm

Equation of state

../../_images/fig_bm1048.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2251.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2483.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2251.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22072.png

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

Summary

../../_images/fig_times3598.png

(a) Computation time