mp-19144/Rb2W2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13693.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18061.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13693.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213321.png

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

Summary

../../_images/fig_times22981.png

(a) Computation time