mp-679927/Rb2ScN5O15/harm

Harmonic properties

../../_images/fig_bandos_pr5130.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7288.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5130.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24935.png

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

Summary

../../_images/fig_times9197.png

(a) Computation time