mp-734137-2/H9C2N7O6/harm

Harmonic properties

../../_images/fig_bandos_pr4088.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5504.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4088.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23901.png

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

Summary

../../_images/fig_times7119.png

(a) Computation time