mp-1193864/Al2PH3O7/harm

Harmonic properties

../../_images/fig_bandos_pr15846.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20249.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15845.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215441.png

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

Summary

../../_images/fig_times26109.png

(a) Computation time