mp-754521/SrI2O6/harm

Equation of state

../../_images/fig_bm1745.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3548.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4751.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3548.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23366.png

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

Summary

../../_images/fig_times6175.png

(a) Computation time