mp-768923/Bi4B6O15/harm

Harmonic properties

../../_images/fig_bandos_pr2616.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3164.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2616.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22437.png

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

Summary

../../_images/fig_times4353.png

(a) Computation time