mp-709723/Al2P3H17C4N2O12/harm

Harmonic properties

../../_images/fig_bandos_pr4289.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5995.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4289.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24102.png

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

Summary

../../_images/fig_times7632.png

(a) Computation time