mp-667342/Bi12PbO20/harm

Harmonic properties

../../_images/fig_bandos_pr5364.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7711.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5364.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25169.png

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

Summary

../../_images/fig_times9695.png

(a) Computation time