mp-723064-2/Ti3Bi4O12/harm

Harmonic properties

../../_images/fig_bandos_pr4180.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5722.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4180.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23993.png

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

Summary

../../_images/fig_times7345.png

(a) Computation time