mp-23778/H4CN2O/harm

Harmonic properties

../../_images/fig_bandos_pr12491.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16805.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12491.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212190.png

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

Summary

../../_images/fig_times21232.png

(a) Computation time