mp-757715/TbBi3O6/harm

Harmonic properties

../../_images/fig_bandos_pr3173.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4179.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3173.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22992.png

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

Summary

../../_images/fig_times5501.png

(a) Computation time