mp-1404968/CaCu2F8/harm

Harmonic properties

../../_images/fig_bandos_pr14572.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18930.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14572.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214191.png

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

Summary

../../_images/fig_times24242.png

(a) Computation time