mp-695278/Ba3La9Mg7Nb5O36/harm

Harmonic properties

../../_images/fig_bandos_pr4836.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6708.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4836.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24645.png

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

Summary

../../_images/fig_times8558.png

(a) Computation time