mp-562854-2/CsNb2BiO7/harm

Equation of state

../../_images/fig_bm3788.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7124.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10112.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7124.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26895.png

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

Summary

../../_images/fig_times12708.png

(a) Computation time