mp-989570/Cs2CaSnCl6/harm

Harmonic properties

../../_images/fig_bandos_pr830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos738.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2728.png

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

Summary

../../_images/fig_times1235.png

(a) Computation time