mp-567467/CdH12C4Br3N/harm

Harmonic properties

../../_images/fig_bandos_pr7168.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10158.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7168.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26939.png

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

Summary

../../_images/fig_times12770.png

(a) Computation time