mp-1014204/Sn5S4Cl2/harm

Harmonic properties

../../_images/fig_bandos_pr2.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22.png

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

Summary

../../_images/fig_times9.png

(a) Computation time