mp-28617-2/In3Sb5O12/harm

Equation of state

../../_images/fig_bm5649.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11566.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15569.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11566.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211279.png

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

Summary

../../_images/fig_times19697.png

(a) Computation time