mp-563025/Na6PbO5/harm

Harmonic properties

../../_images/fig_bandos_pr7126.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10118.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7126.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26897.png

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

Summary

../../_images/fig_times12714.png

(a) Computation time