mp-23539/KSn2Cl5/harm

Harmonic properties

../../_images/fig_bandos_pr12734.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17114.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12734.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212430.png

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

Summary

../../_images/fig_times21610.png

(a) Computation time