mp-703476/P2H16N4O7/harm

Harmonic properties

../../_images/fig_bandos_pr4431.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6188.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4431.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24244.png

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

Summary

../../_images/fig_times7875.png

(a) Computation time