mp-721901/K2B4H8O11/harm

Harmonic properties

../../_images/fig_bandos_pr4155.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5652.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4155.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23968.png

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

Summary

../../_images/fig_times7272.png

(a) Computation time