mp-706913/BeH8N2O10/harm

Harmonic properties

../../_images/fig_bandos_pr4470.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6297.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4470.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24283.png

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

Summary

../../_images/fig_times7987.png

(a) Computation time