mp-766411/H16PdC4S4N8Cl2/harm

Harmonic properties

../../_images/fig_bandos_pr2769.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3406.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2769.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22590.png

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

Summary

../../_images/fig_times4643.png

(a) Computation time