mp-39681/NaTi2BiO6/harm

Harmonic properties

../../_images/fig_bandos_pr10279.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14219.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10279.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210029.png

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

Summary

../../_images/fig_times17764.png

(a) Computation time