mp-690684/Na2BH4ClO4/harm

Harmonic properties

../../_images/fig_bandos_pr5045.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5045.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24850.png

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

Summary

../../_images/fig_times9011.png

(a) Computation time