mp-504506/RbInMo2O8/harm

Harmonic properties

../../_images/fig_bandos_pr9798.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13675.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9798.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29554.png

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

Summary

../../_images/fig_times17025.png

(a) Computation time