mp-773965-2/Nb2PbO6/harm

Equation of state

../../_images/fig_bm1162.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2384.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2774.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2384.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22205.png

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

Summary

../../_images/fig_times3911.png

(a) Computation time