mp-679958/Na3Nd2N9O27/harm

Harmonic properties

../../_images/fig_bandos_pr5135.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7294.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5135.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24940.png

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

Summary

../../_images/fig_times9204.png

(a) Computation time