mp-27726/SO2/harm

Harmonic properties

../../_images/fig_bandos_pr11873.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15911.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11873.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211584.png

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

Summary

../../_images/fig_times20151.png

(a) Computation time