mp-675541/K2Sn5Cl12/harm

Harmonic properties

../../_images/fig_bandos_pr5239.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7483.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5239.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25044.png

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

Summary

../../_images/fig_times9425.png

(a) Computation time