mp-677731-2/Rb2NaNb6P3O24/harm

Harmonic properties

../../_images/fig_bandos_pr5125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7281.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5125.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24930.png

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

Summary

../../_images/fig_times9190.png

(a) Computation time