mp-1225710/Cu4Br3Cl/harm

Harmonic properties

../../_images/fig_bandos_pr15081.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19440.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15080.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214697.png

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

Summary

../../_images/fig_times24957.png

(a) Computation time