mp-29873/Rb2CdCl4/harm

Harmonic properties

../../_images/fig_bandos_pr11015.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14938.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11015.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210739.png

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

Summary

../../_images/fig_times18822.png

(a) Computation time