mp-1340-2/Ga2Se3/harm

Harmonic properties

../../_images/fig_bandos_pr163.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos187.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo163.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2157.png

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

Summary

../../_images/fig_times275.png

(a) Computation time