mp-754415/Tb3NbO7/harm

Harmonic properties

../../_images/fig_bandos_pr3864.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5115.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3864.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23677.png

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

Summary

../../_images/fig_times6674.png

(a) Computation time