mp-554294/Na7SnS3O12F3/harm

Harmonic properties

../../_images/fig_bandos_pr8967.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12647.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8967.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28728.png

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

Summary

../../_images/fig_times15714.png

(a) Computation time