mp-733610-2/H7C3N3O5/harm

Harmonic properties

../../_images/fig_bandos_pr4073.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5459.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4073.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23886.png

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

Summary

../../_images/fig_times7073.png

(a) Computation time