mp-1044109/Al4Si2Sn13Sb2O28/harm

Harmonic properties

../../_images/fig_bandos_pr17027.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21358.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17026.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216579.png

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

Summary

../../_images/fig_times27757.png

(a) Computation time