mp-557926/CdAs2Xe4F20/harm

Harmonic properties

../../_images/fig_bandos_pr8222.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11563.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8222.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27984.png

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

Summary

../../_images/fig_times14465.png

(a) Computation time