mp-28676-2/S2O5F2/harm

Equation of state

../../_images/fig_bm5657.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15591.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211295.png

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

Summary

../../_images/fig_times19724.png

(a) Computation time