mp-583454/Nb2Bi2PbO9/harm

Harmonic properties

../../_images/fig_bandos_pr6521.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9375.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6521.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26311.png

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

Summary

../../_images/fig_times11721.png

(a) Computation time