mp-581225/KLiNd2Mo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr6762.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9719.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6762.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26549.png

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

Summary

../../_images/fig_times12146.png

(a) Computation time