mp-706627/ZnH6C2N4O4/harm

Harmonic properties

../../_images/fig_bandos_pr4463.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6281.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4463.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24276.png

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

Summary

../../_images/fig_times7970.png

(a) Computation time