mp-556171/CdP2Xe5F22/harm

Harmonic properties

../../_images/fig_bandos_pr8465.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11888.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8465.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28227.png

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

Summary

../../_images/fig_times14854.png

(a) Computation time