mp-23032/CsCuCl3/harm

Harmonic properties

../../_images/fig_bandos_pr12829.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17221.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12829.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212525.png

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

Summary

../../_images/fig_times21743.png

(a) Computation time