mp-647999/Nb2Cd2O7/harm

Harmonic properties

../../_images/fig_bandos_pr5601.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8008.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5601.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25402.png

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

Summary

../../_images/fig_times10090.png

(a) Computation time