mp-770332/NaBiCSO7/harm

Harmonic properties

../../_images/fig_bandos_pr2707.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3290.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2707.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22528.png

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

Summary

../../_images/fig_times4514.png

(a) Computation time