mp-706629/NaB2H5O6/harm

Harmonic properties

../../_images/fig_bandos_pr4464.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6282.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4464.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24277.png

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

Summary

../../_images/fig_times7971.png

(a) Computation time