mp-543040/Ga2Te3H6O12/harm

Harmonic properties

../../_images/fig_bandos_pr9368.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13140.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9368.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29130.png

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

Summary

../../_images/fig_times16328.png

(a) Computation time