mp-650178/Se5SO3F/harm

Harmonic properties

../../_images/fig_bandos_pr5324.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7632.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5324.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25129.png

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

Summary

../../_images/fig_times9604.png

(a) Computation time