mp-28557/Ag2PdCl4/harm

Harmonic properties

../../_images/fig_bandos_pr11530.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15540.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11530.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211244.png

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

Summary

../../_images/fig_times19648.png

(a) Computation time