mp-754711/Nb2Pb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr3579.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4801.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3579.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23397.png

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

Summary

../../_images/fig_times6236.png

(a) Computation time