mp-29910/Sr4I6O/harm

Harmonic properties

../../_images/fig_bandos_pr11036.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14957.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11036.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210760.png

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

Summary

../../_images/fig_times18849.png

(a) Computation time