mp-23985/LiH6BrO7/harm

Harmonic properties

../../_images/fig_bandos_pr12590.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16938.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12590.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212288.png

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

Summary

../../_images/fig_times21388.png

(a) Computation time