mp-769377/SbSO4F3/harm

Harmonic properties

../../_images/fig_bandos_pr2677.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3249.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2677.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22498.png

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

Summary

../../_images/fig_times4463.png

(a) Computation time