mp-1190015/NaNbO3/harm

Harmonic properties

../../_images/fig_bandos_pr15950.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20359.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15949.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215545.png

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

Summary

../../_images/fig_times26266.png

(a) Computation time