mp-23032-2/CsCuCl3/harm

Equation of state

../../_images/fig_bm6406.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17222.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212526.png

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

Summary

../../_images/fig_times21744.png

(a) Computation time