mp-554592/CsCSO3F3/harm

Harmonic properties

../../_images/fig_bandos_pr9031.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12735.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9031.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28793.png

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

Summary

../../_images/fig_times15815.png

(a) Computation time