mp-625347-2/H6N4O9/harm

Equation of state

../../_images/fig_bm3015.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5875.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8590.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5875.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25671.png

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

Summary

../../_images/fig_times10724.png

(a) Computation time