mp-23335/Ti3Bi4O12/harm

Harmonic properties

../../_images/fig_bandos_pr13007.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17388.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13007.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212688.png

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

Summary

../../_images/fig_times21986.png

(a) Computation time