mp-557715/CdAu2F12/harm

Harmonic properties

../../_images/fig_bandos_pr8168.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11485.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8168.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27930.png

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

Summary

../../_images/fig_times14375.png

(a) Computation time