mp-16136-2/Sr3TaGa3Si2O14/harm

Equation of state

../../_images/fig_bm7196.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14392.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18765.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14392.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214017.png

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

Summary

../../_images/fig_times23991.png

(a) Computation time