mp-757310/ZnP2H14C2N6O6/harm

Equation of state

../../_images/fig_bm1426.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3139.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4117.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3139.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22958.png

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

Summary

../../_images/fig_times5435.png

(a) Computation time