mp-1104384/Cs2MoS2O2/harm

Harmonic properties

../../_images/fig_bandos_pr16615.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16614.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216187.png

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

Summary

../../_images/fig_times27171.png

(a) Computation time