mp-707304/Be4Si2H2O9/harm

Harmonic properties

../../_images/fig_bandos_pr4245.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5888.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4245.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24058.png

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

Summary

../../_images/fig_times7520.png

(a) Computation time