mp-698366/ZnH10C4N4O6/harm

Harmonic properties

../../_images/fig_bandos_pr4730.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6578.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4730.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24541.png

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

Summary

../../_images/fig_times8393.png

(a) Computation time