mp-23064/Bi2MoO6/harm

Harmonic properties

../../_images/fig_bandos_pr12855.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17243.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12855.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212551.png

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

Summary

../../_images/fig_times21776.png

(a) Computation time