mp-541433/CdBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr9509.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13317.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9509.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29270.png

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

Summary

../../_images/fig_times16547.png

(a) Computation time