mp-769129/Li3SbN3O9F3/harm

Harmonic properties

../../_images/fig_bandos_pr2643.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3208.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2643.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22464.png

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

Summary

../../_images/fig_times4407.png

(a) Computation time