mp-29576-2/Cd7P10/harm

Harmonic properties

../../_images/fig_bandos_pr11255.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15217.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11255.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210971.png

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

Summary

../../_images/fig_times19213.png

(a) Computation time