mp-23909-2/H6CN3ClO/harm

Harmonic properties

../../_images/fig_bandos_pr12549.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16888.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12549.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212247.png

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

Summary

../../_images/fig_times21330.png

(a) Computation time