mp-759514/V2PH10NO11/harm

Harmonic properties

../../_images/fig_bandos_pr3064.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3963.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3064.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22884.png

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

Summary

../../_images/fig_times5268.png

(a) Computation time