mp-707290/Nb10Pb14O39/harm

Harmonic properties

../../_images/fig_bandos_pr4243.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5885.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4243.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24056.png

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

Summary

../../_images/fig_times7517.png

(a) Computation time