mp-1224376/Ge2SeS/harm

Harmonic properties

../../_images/fig_bandos_pr15051.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19409.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15050.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214667.png

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

Summary

../../_images/fig_times24914.png

(a) Computation time