mp-23101/Nb2Bi2PbO9/harm

Harmonic properties

../../_images/fig_bandos_pr12882.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17275.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12882.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212578.png

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

Summary

../../_images/fig_times21820.png

(a) Computation time