mp-5472/Nb2Cd2O7/harm

Equation of state

../../_images/fig_bm4987.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9981.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13919.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9981.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29734.png

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

Summary

../../_images/fig_times17336.png

(a) Computation time