mp-561104/GaI3O9/harm

Harmonic properties

../../_images/fig_bandos_pr7313.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10292.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7313.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27077.png

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

Summary

../../_images/fig_times12975.png

(a) Computation time