mp-722369-2/Na3B5H2O10/harm

Harmonic properties

../../_images/fig_bandos_pr4163.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5680.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4163.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23976.png

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

Summary

../../_images/fig_times7301.png

(a) Computation time