mp-625374/H6N2O/harm

Harmonic properties

../../_images/fig_bandos_pr5877.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8592.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5877.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25673.png

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

Summary

../../_images/fig_times10726.png

(a) Computation time