mp-723094/B5H12C2NO10/harm

Harmonic properties

../../_images/fig_bandos_pr4182.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5725.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4182.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23995.png

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

Summary

../../_images/fig_times7348.png

(a) Computation time