mp-1104440-2/Rb2MoS2O2/harm

Harmonic properties

../../_images/fig_bandos_pr16620.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16619.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216192.png

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

Summary

../../_images/fig_times27176.png

(a) Computation time