mp-23065/CsCu2Cl3/harm

Harmonic properties

../../_images/fig_bandos_pr12856.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17244.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12856.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212552.png

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

Summary

../../_images/fig_times21777.png

(a) Computation time