mp-569008/PdCl2/harm

Harmonic properties

../../_images/fig_bandos_pr6981.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9965.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6981.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26759.png

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

Summary

../../_images/fig_times12492.png

(a) Computation time