mp-568970/K3SnIrCl8/harm

Harmonic properties

../../_images/fig_bandos_pr6976.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9961.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6976.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26754.png

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

Summary

../../_images/fig_times12486.png

(a) Computation time