mp-27726-2/SO2/harm

Equation of state

../../_images/fig_bm5794.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11874.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15912.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11874.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211585.png

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

Summary

../../_images/fig_times20152.png

(a) Computation time