mp-695000/LiMg6ScSi8O24/harm

Harmonic properties

../../_images/fig_bandos_pr4826.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6690.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4826.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24635.png

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

Summary

../../_images/fig_times8539.png

(a) Computation time