mp-16136/Sr3TaGa3Si2O14/harm

Harmonic properties

../../_images/fig_bandos_pr14391.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18764.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14391.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214016.png

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

Summary

../../_images/fig_times23990.png

(a) Computation time