mp-21892-2/Al2PbO4/harm

Equation of state

../../_images/fig_bm6674.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13365.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17722.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13365.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213005.png

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

Summary

../../_images/fig_times22514.png

(a) Computation time