mp-780282/CdB2O4/harm

Harmonic properties

../../_images/fig_bandos_pr1979.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2004.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1979.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21802.png

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

Summary

../../_images/fig_times3026.png

(a) Computation time