mp-30130/Bi4I2O5/harm

Harmonic properties

../../_images/fig_bandos_pr11079.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15011.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11079.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210801.png

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

Summary

../../_images/fig_times18928.png

(a) Computation time