mp-679928/Rb3Pr2N9O27/harm

Harmonic properties

../../_images/fig_bandos_pr5131.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7289.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5131.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24936.png

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

Summary

../../_images/fig_times9198.png

(a) Computation time