mp-1224796/Ga2S3/harm

Harmonic properties

../../_images/fig_bandos_pr15055.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19414.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15054.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214671.png

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

Summary

../../_images/fig_times24921.png

(a) Computation time