mp-771189/Ba4Ti3O10/harm

Harmonic properties

../../_images/fig_bandos_pr2482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2958.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22303.png

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

Summary

../../_images/fig_times4111.png

(a) Computation time