mp-677731/Rb2NaNb6P3O24/harm

Equation of state

../../_images/fig_bm2518.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5124.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7280.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5124.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24929.png

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

Summary

../../_images/fig_times9189.png

(a) Computation time