mp-11112-2/TbB3O6/harm

Harmonic properties

../../_images/fig_bandos_pr16767.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21105.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16766.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216325.png

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

Summary

../../_images/fig_times27384.png

(a) Computation time