mp-556637/Ba6Na2Nb2P2O17/harm

Harmonic properties

../../_images/fig_bandos_pr8573.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12058.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8573.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28334.png

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

Summary

../../_images/fig_times15046.png

(a) Computation time