mp-28448/DyCl3/harm

Harmonic properties

../../_images/fig_bandos_pr11849.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo11849.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc211560.png

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

Summary

../../_images/fig_times20109.png

(a) Computation time