mp-699473/Li2B12H26O7/harm

Harmonic properties

../../_images/fig_bandos_pr4765.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6636.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4765.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24576.png

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

Summary

../../_images/fig_times8453.png

(a) Computation time