mp-720642-2/NaB3H4O7/harm

Harmonic properties

../../_images/fig_bandos_pr4304.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6045.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4304.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24117.png

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

Summary

../../_images/fig_times7683.png

(a) Computation time