mp-29888/ErCl3O12/harm

Harmonic properties

../../_images/fig_bandos_pr11025.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14944.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11025.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210749.png

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

Summary

../../_images/fig_times18832.png

(a) Computation time