mp-540721/NaB5H10O13/harm

Harmonic properties

../../_images/fig_bandos_pr9713.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13582.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9713.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29474.png

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

Summary

../../_images/fig_times16894.png

(a) Computation time