mp-758916-2/Ga2P3H12N3O12/harm

Harmonic properties

../../_images/fig_bandos_pr3017.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3861.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3017.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22837.png

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

Summary

../../_images/fig_times5162.png

(a) Computation time