mp-28475/H2Pb3O4/harm

Harmonic properties

../../_images/fig_bandos_pr11861.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15886.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11861.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211572.png

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

Summary

../../_images/fig_times20124.png

(a) Computation time