mp-850908/Li2Mg11W12O48/harm

Harmonic properties

../../_images/fig_bandos_pr1729.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1728.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1729.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21561.png

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

Summary

../../_images/fig_times2633.png

(a) Computation time