mp-504667/RbInW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr9805.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13696.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9805.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29561.png

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

Summary

../../_images/fig_times17049.png

(a) Computation time