mp-683949/AlP3N3Cl9/harm

Harmonic properties

../../_images/fig_bandos_pr4967.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6938.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4967.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24774.png

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

Summary

../../_images/fig_times8815.png

(a) Computation time