mp-695891/CdH6CBr3N3/harm

Harmonic properties

../../_images/fig_bandos_pr4854.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6753.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4854.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24663.png

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

Summary

../../_images/fig_times8606.png

(a) Computation time