mp-757310-2/ZnP2H14C2N6O6/harm

Harmonic properties

../../_images/fig_bandos_pr3140.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4118.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3140.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22959.png

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

Summary

../../_images/fig_times5436.png

(a) Computation time