mp-561251/Rb2YN5O15/harm

Harmonic properties

../../_images/fig_bandos_pr7350.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10348.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7350.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27114.png

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

Summary

../../_images/fig_times13034.png

(a) Computation time