mp-557665/K3Sn5Cl3F10/harm

Harmonic properties

../../_images/fig_bandos_pr8154.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11466.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8154.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27916.png

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

Summary

../../_images/fig_times14354.png

(a) Computation time