mp-1223847/K2PdBrCl3/harm

Harmonic properties

../../_images/fig_bandos_pr15037.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19384.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15036.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214654.png

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

Summary

../../_images/fig_times24886.png

(a) Computation time