mp-555808/Zn8B3H3O14/harm

Harmonic properties

../../_images/fig_bandos_pr8676.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12196.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8676.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28437.png

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

Summary

../../_images/fig_times15208.png

(a) Computation time