mp-650024/RbLiBi2Mo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr5322.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7629.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5322.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25127.png

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

Summary

../../_images/fig_times9601.png

(a) Computation time