mp-23427-2/Ti3Bi4O12/harm

Equation of state

../../_images/fig_bm6320.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12677.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17053.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12677.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212373.png

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

Summary

../../_images/fig_times21527.png

(a) Computation time