mp-554108/LiReO2F4/harm

Harmonic properties

../../_images/fig_bandos_pr9270.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12991.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9270.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29032.png

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

Summary

../../_images/fig_times16152.png

(a) Computation time