mp-643794/HSO3F/harm

Harmonic properties

../../_images/fig_bandos_pr5535.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7931.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5535.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25337.png

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

Summary

../../_images/fig_times9988.png

(a) Computation time