mp-27247/Na3NbO4/harm

Harmonic properties

../../_images/fig_bandos_pr12304.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16505.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12304.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212003.png

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

Summary

../../_images/fig_times20877.png

(a) Computation time