mp-1191266/BiIO4/harm

Harmonic properties

../../_images/fig_bandos_pr16066.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20483.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16065.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215661.png

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

Summary

../../_images/fig_times26429.png

(a) Computation time