mp-1218951/SnPbS2/harm

Harmonic properties

../../_images/fig_bandos_pr15261.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19632.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15260.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214872.png

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

Summary

../../_images/fig_times25245.png

(a) Computation time