mp-553956-2/P2Pb3O8/harm

Equation of state

../../_images/fig_bm4632.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9221.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12931.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9221.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28983.png

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

Summary

../../_images/fig_times16079.png

(a) Computation time