mp-769384/Li3NbOF6/harm

Harmonic properties

../../_images/fig_bandos_pr2680.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3251.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2680.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22501.png

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

Summary

../../_images/fig_times4466.png

(a) Computation time