mp-554435/TcBi3O8/harm

Harmonic properties

../../_images/fig_bandos_pr8996.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12685.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8996.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28757.png

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

Summary

../../_images/fig_times15759.png

(a) Computation time