mp-562854/CsNb2BiO7/harm

Harmonic properties

../../_images/fig_bandos_pr7123.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10111.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7123.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26894.png

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

Summary

../../_images/fig_times12707.png

(a) Computation time