mp-697222/Rb3LiZn2Mo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr4678.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6484.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4678.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24489.png

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

Summary

../../_images/fig_times8283.png

(a) Computation time