mp-16107/Rb3P6N11/harm

Harmonic properties

../../_images/fig_bandos_pr14383.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18759.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14383.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214008.png

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

Summary

../../_images/fig_times23982.png

(a) Computation time