mp-23400-2/InI3O9/harm

Equation of state

../../_images/fig_bm6311.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12660.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17035.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12660.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212357.png

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

Summary

../../_images/fig_times21501.png

(a) Computation time