mp-974650/Re2S2O13/harm

Harmonic properties

../../_images/fig_bandos_pr1022.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos952.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1022.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2891.png

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

Summary

../../_images/fig_times1525.png

(a) Computation time