mp-1183513/BeH8SO8/harm

Harmonic properties

../../_images/fig_bandos_pr16160.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20592.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16159.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215753.png

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

Summary

../../_images/fig_times26581.png

(a) Computation time