mp-555229/H5CNO2/harm

Harmonic properties

../../_images/fig_bandos_pr8885.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12520.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8885.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28646.png

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

Summary

../../_images/fig_times15574.png

(a) Computation time