mp-695214/Ba9La3Mg5Nb7O36/harm

Equation of state

../../_images/fig_bm2393.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4834.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6703.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4834.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24643.png

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

Summary

../../_images/fig_times8553.png

(a) Computation time