mp-555095/Ba5Re3NO18/harm

Harmonic properties

../../_images/fig_bandos_pr8840.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12455.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8840.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28601.png

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

Summary

../../_images/fig_times15502.png

(a) Computation time