mp-554294-2/Na7SnS3O12F3/harm

Equation of state

../../_images/fig_bm4525.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8968.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12648.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8968.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28729.png

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

Summary

../../_images/fig_times15715.png

(a) Computation time