mp-634410/NaN3/harm

Harmonic properties

../../_images/fig_bandos_pr5653.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8125.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5653.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25452.png

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

Summary

../../_images/fig_times10217.png

(a) Computation time