mp-10096/Na3Sr3GaP4/harm

Equation of state

../../_images/fig_bm160.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr502.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo502.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc2427.png

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

Summary

../../_images/fig_times757.png

(a) Computation time