mp-721075/Ga2P3H11O13/harm

Harmonic properties

../../_images/fig_bandos_pr4319.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6093.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4319.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24132.png

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

Summary

../../_images/fig_times7732.png

(a) Computation time