mp-15248/K3Nb3B2O12/harm

Harmonic properties

../../_images/fig_bandos_pr14612.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18993.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14612.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214231.png

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

Summary

../../_images/fig_times24316.png

(a) Computation time