mp-8298-2/Sr4P2O/harm

Equation of state

../../_images/fig_bm906.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2156.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2125.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21946.png

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

Summary

../../_images/fig_times3252.png

(a) Computation time