mp-708961/BeH8SeO8/harm

Harmonic properties

../../_images/fig_bandos_pr4283.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4283.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24096.png

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

Summary

../../_images/fig_times7618.png

(a) Computation time