mp-707151/Na2B4H20O17/harm

Harmonic properties

../../_images/fig_bandos_pr4234.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5862.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4234.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24047.png

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

Summary

../../_images/fig_times7493.png

(a) Computation time