mp-1226758/CdBiBrO2/harm

Harmonic properties

../../_images/fig_bandos_pr15094.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19457.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15093.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214710.png

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

Summary

../../_images/fig_times24977.png

(a) Computation time