mp-706709/Al4P3H3O15/harm

Harmonic properties

../../_images/fig_bandos_pr4467.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6292.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4467.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24280.png

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

Summary

../../_images/fig_times7982.png

(a) Computation time