mp-1020147/Na2Mg2P3NO9/harm

Harmonic properties

../../_images/fig_bandos_pr88.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos103.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo88.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc287.png

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

Summary

../../_images/fig_times152.png

(a) Computation time