mp-625686-2/H4N2O3/harm

Equation of state

../../_images/fig_bm3063.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5928.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8671.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5928.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25724.png

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

Summary

../../_images/fig_times10811.png

(a) Computation time