mp-28676/S2O5F2/harm

Harmonic properties

../../_images/fig_bandos_pr11582.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15590.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11582.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211294.png

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

Summary

../../_images/fig_times19723.png

(a) Computation time