mp-768909/SrI2O6/harm

Harmonic properties

../../_images/fig_bandos_pr2614.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3161.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2614.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22435.png

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

Summary

../../_images/fig_times4350.png

(a) Computation time