mp-757333/Al12PbO19/harm

Harmonic properties

../../_images/fig_bandos_pr3143.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4123.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3143.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22962.png

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

Summary

../../_images/fig_times5441.png

(a) Computation time