mp-14353/BaNaNdGe3O9/harm

Harmonic properties

../../_images/fig_bandos_pr14762.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19132.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14762.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214380.png

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

Summary

../../_images/fig_times24525.png

(a) Computation time