mp-22994/LiIO3/harm

Harmonic properties

../../_images/fig_bandos_pr12815.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17204.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12815.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212511.png

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

Summary

../../_images/fig_times21725.png

(a) Computation time