mp-14161/Sr4Al6SO16/harm

Harmonic properties

../../_images/fig_bandos_pr14712.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19084.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14712.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214330.png

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

Summary

../../_images/fig_times24452.png

(a) Computation time