mp-632734/H4N2O3/harm

Harmonic properties

../../_images/fig_bandos_pr5636.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8098.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5636.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25435.png

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

Summary

../../_images/fig_times10188.png

(a) Computation time