mp-733610/H7C3N3O5/harm

Equation of state

../../_images/fig_bm2013.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4072.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5458.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4072.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23885.png

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

Summary

../../_images/fig_times7072.png

(a) Computation time