mp-13335-2/CdB2O4/harm

Harmonic properties

../../_images/fig_bandos_pr14876.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19247.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14876.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214493.png

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

Summary

../../_images/fig_times24680.png

(a) Computation time